SCHEMBL400513

SCHEMBL400513

CC(C)(C)OC(=O)N1CC2CCC(C1)N2

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.50
CHRNB2 P17787 6/20 0.48
CHRNA3 P32297 6/20 0.48
CHRNA4 P43681 6/20 0.48
CHRNB3 Q05901 6/20 0.48
CHRNA6 Q15825 6/20 0.48
HPGD P15428 1/20 0.45
DDB1 Q16531 1/20 0.45
CRBN Q96SW2 1/20 0.45
USP2 O75604 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
RECQL P46063 1/20 0.43
EPHX1 P07099 1/20 0.43
MAPT P10636 2/20 0.42
KDM4E B2RXH2 1/20 0.42
THRB P10828 1/20 0.42
CHRM2 P08172 1/20 0.42
CHRM1 P11229 1/20 0.42
CHRM3 P20309 1/20 0.42
MEN1 O00255 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL608991 1.00 NR1H2 (0.50) NR1H2CHRNB2CHRNA3CHRNA4CHRNB3
SCHEMBL24884312 1.00 NR1H2 (0.50) NR1H2CHRNB2CHRNA3CHRNA4CHRNB3
SCHEMBL22169156 1.00 NR1H2 (0.50) NR1H2CHRNB2CHRNA3CHRNA4CHRNB3
Hydrochloric Acid SCHEMBL7149386 0.98 NR1H2 (0.49) NR1H2CHRNB2CHRNA3CHRNA4CHRNB3
SCHEMBL18081207 0.93 NR1H2 (0.47) NR1H2CHRNB2CHRNA3CHRNA4CHRNB3
SCHEMBL1979623 0.91 NR1H2 (0.56) NR1H2CHRNB2CHRNA3CHRNA4CHRNB3
SCHEMBL25409415 0.91 NR1H2 (0.56) NR1H2CHRNB2CHRNA3CHRNA4CHRNB3
SCHEMBL994561 0.91 NR1H2 (0.56) NR1H2CHRNB2CHRNA3CHRNA4CHRNB3
Hydrochloric Acid SCHEMBL18038711 0.91 NR1H2 (0.43) NR1H2CHRNB2CHRNA3CHRNA4CHRNB3
SCHEMBL4321473 0.90 HPGD (0.48) NR1H2CHRNB2CHRNA3CHRNA4CHRNB3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 800 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117865969-A Preparation method of 3, 8-diazabicyclo [3.2.1] octane-3-tert-butyl formate 杭州国瑞生物科技有限公司 2024-04-12 CN claimed
CN-122074043-A Combination therapy with KRAS modulators 光达治疗公司 2026-05-22 CN disclosed
US-20260138987-A1 MUSCARINIC ACETYLCHOLINE M1 RECEPTOR ANTAGONISTS CONTINEUM THERAPEUTICS INC (US) 2026-05-21 US disclosed
US-20260132139-A1 HIV INHIBITOR COMPOUNDS GILEAD SCIENCES INC (US) 2026-05-14 US disclosed
US-12624052-B2 KRAS modulators and uses thereof QUANTA THERAPEUTICS, INC. (US) 2026-05-12 US disclosed
US-12624044-B2 SMARCA degraders and uses thereof KYMERA THERAPEUTICS, INC. (US) 2026-05-12 US disclosed
CN-122029167-A Condensed heteroaryl compound, preparation method and medical application thereof 江苏恒瑞医药股份有限公司 2026-05-12 CN disclosed
US-20260116890-A1 ANTI-CANCER NUCLEAR HORMONE RECEPTOR-TARGETING COMPOUNDS NUVATION BIO INC (US) 2026-04-30 US disclosed
US-20260109686-A1 PYRIDAZIN-3(2H)-ONE AND PYRIDIN-2(1H)-ONE PARP INHIBITOR COMPOUNDS AZKARRA THERAPEUTICS, INC. (US) 2026-04-23 US disclosed
US-20260109714-A1 PYRIMIDINE-FUSED RING COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF GENFLEET THERAPEUTICS SHANGHAI INC (CN) 2026-04-23 US disclosed
US-7348343-B2 Amides useful for treating pain ABBOTT LABORATORIES INC. (US) 2008-03-25 US disclosed
US-7348343-B2 Amides useful for treating pain ABBOTT LABORATORIES INC. (US) 2008-03-25 US disclosed
US-7348343-B2 Amides useful for treating pain ABBOTT LABORATORIES INC. (US) 2008-03-25 US disclosed
US-20070010557-A1 Novel amides useful for treating pain ABBVIE INC. 2007-01-11 US disclosed
US-20070010557-A1 Novel amides useful for treating pain ABBVIE INC. 2007-01-11 US disclosed
US-20070010557-A1 Novel amides useful for treating pain ABBVIE INC. 2007-01-11 US disclosed
US-7129235-B2 Amides useful for treating pain ABBOTT LABORATORIES (US) 2006-10-31 US disclosed
US-20050101602-A1 For example, 3-(6-phenyl-pyridazin-3-yl)-3,8-diaza-bicyclo[3.2.1]octane; for treatment or prevention of conditions and disorders related to nAChR activity, and more particularly alpha 7 nAChR activity, such as attention deficit disorder, attention deficit hyperactivity disorder, Alzheimer's disease ABBVIE INC. 2005-05-12 US disclosed
US-20050080095-A1 administering a therapeuitcally effective amount of 3'-(trifluoromethyl)-N-{4-[(trifluoromethyl)sulfonyl]phenyl}-3,6-dihydro-2H-1,2'-bipyridine-4-carboxamide; antagonists of vanilloid receptor subtype I ABBVIE INC. 2005-04-14 US disclosed
US-20050009841-A1 Novel amides useful for treating pain ABBOTT LABORATORIES 2005-01-13 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (11 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050009841-A1 Novel amides useful for treating pain OPRL1, OPRK1, FAAH2 NR1H2 263/4885CHRNB2 231/4885CHRNA3 148/4885
US-20260109714-A1 PYRIMIDINE-FUSED RING COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF KRAS, NRAS, HRAS NR1H2 220/4885CHRNB2 1691/4885CHRNA3 1029/4885
US-20260109686-A1 PYRIDAZIN-3(2H)-ONE AND PYRIDIN-2(1H)-ONE PARP INHIBITOR COMPOUNDS PARP2, PARP1, PARP11 NR1H2 585/4885CHRNB2 685/4885CHRNA3 360/4885
US-20050080095-A1 administering a therapeuitcally effective amount of 3'-(trifluoromethyl)-N-{4-[(trifluoromethyl)sulfonyl]phenyl}-3,6-dihydro-2H-1,2'-bipyridine-4-carboxamide; antagonists of vanilloid receptor subtype I TRPV1, OPRL1, TRPV6 NR1H2 544/4885CHRNB2 352/4885CHRNA3 221/4885
US-20260138987-A1 MUSCARINIC ACETYLCHOLINE M1 RECEPTOR ANTAGONISTS CHRM1, CHRM5, CHRM3 NR1H2 430/4885CHRNB2 20/4885CHRNA3 11/4885
US-12624044-B2 SMARCA degraders and uses thereof SMARCA1, SMARCC1, SMARCA2 NR1H2 2537/4885CHRNB2 652/4885CHRNA3 987/4885
US-20260116890-A1 ANTI-CANCER NUCLEAR HORMONE RECEPTOR-TARGETING COMPOUNDS NR5A1, NR3C1, NCOR1 NR1H2 19/4885CHRNB2 1225/4885CHRNA3 1062/4885
US-20260132139-A1 HIV INHIBITOR COMPOUNDS SLC11A2, SLC6A15, NHERF1 NR1H2 2556/4885CHRNB2 4706/4885CHRNA3 4790/4885
US-12624052-B2 KRAS modulators and uses thereof KRAS, NRAS, HRAS NR1H2 299/4885CHRNB2 1476/4885CHRNA3 2156/4885
US-20070010557-A1 Novel amides useful for treating pain OPRL1, PDE6B, PDE6G NR1H2 530/4885CHRNB2 2225/4885CHRNA3 1470/4885
US-20050101602-A1 For example, 3-(6-phenyl-pyridazin-3-yl)-3,8-diaza-bicyclo[3.2.1]octane; for treatment or prevention of conditions and disorders related to nAChR activity, and more particularly alpha 7 nAChR activity, such as attention deficit disorder, attention deficit hyperactivity disorder, Alzheimer's disease CHRNA7, CHRNA2, CHRNA6 NR1H2 134/4885CHRNB2 6/4885CHRNA3 8/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.