SCHEMBL10176085

SCHEMBL10176085

CC(C)N1CCC2CNCC2C1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 8/20 0.36
CHRNB4 P30926 8/20 0.36
CHRNA3 P32297 8/20 0.36
CHRNA4 P43681 8/20 0.36
CHRNA7 P36544 6/20 0.34
CCR5 P51681 1/20 0.32
HRH3 Q9Y5N1 1/20 0.31
BPTF Q12830 1/20 0.31

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
SCHEMBL21210559 1.00 CHRNB2 (0.36) CHRNB2CHRNB4CHRNA3CHRNA4CHRNA7
SCHEMBL17694859 0.89 CCR5 (0.36) CHRNB2CHRNB4CHRNA3CHRNA4CHRNA7
SCHEMBL10360894 0.86 HRH3 (0.31) HRH3
SCHEMBL10360439 0.86 GNAI3 (0.33) HRH3
SCHEMBL27380454 0.84 CHRNB2 (0.43) CHRNB2CHRNB4CHRNA3CHRNA4CHRNA7
SCHEMBL22827192 0.84 CHRNB2 (0.43) CHRNB2CHRNB4CHRNA3CHRNA4CHRNA7
SCHEMBL12250822 0.84 CHRNB2 (0.43) CHRNB2CHRNB4CHRNA3CHRNA4CHRNA7
SCHEMBL19756453 0.84 CHRNB2 (0.43) CHRNB2CHRNB4CHRNA3CHRNA4CHRNA7
SCHEMBL14224176 0.84 CHRNB2 (0.43) CHRNB2CHRNB4CHRNA3CHRNA4CHRNA7
SCHEMBL25646849 0.83 CCR5 (0.41) CHRNB2CHRNB4CHRNA3CHRNA4CHRNA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4389751-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF Kumquat Biosciences Inc. (US) 2024-06-26 EP disclosed
WO-2023172737-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF KUMQUAT BIOSCIENCES INC. (US) 2023-09-14 WO disclosed
US-20230265103-A1 NOVEL INHIBITORS OF PIKFYVE AND METHODS USING SAME TME THERAPEUTICS LLC 2023-08-24 US disclosed
US-20220340577-A1 GCN2 INHIBITORS AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED 2022-10-27 US disclosed
US-10988477-B2 GCN2 inhibitors and uses thereof MERCK PATENT GMBH (DE) 2021-04-27 US disclosed
US-20190233425-A1 GCN2 INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2019-08-01 US disclosed
US-20150011544-A1 COMPOUNDS OF ESTROGEN-RELATED RECEPTOR MODULATORS AND THE USES THEREOF GUANGZHOU INST OF BIOMEDICINE & HEALTH CHINESE ACADEMY OF SCIENCES (CN) 2015-01-08 US disclosed
US-8853221-B2 Compounds of estrogen-related receptor modulators and the uses thereof GUANGZHOU INSTITUTE OF BIOMEDICINE & HEALTH, CHINESE ACADEMY OF SCIENCES (CN) 2014-10-07 US disclosed
US-20140296216-A1 PYRIMIDO[4,5-D]PYRIMIDINYL COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF GUANGZHOU INSTITUTE OF BIOMEDICINE AND HEALTH, CHINESE ACADEMY OF SCIENCES (CN) 2014-10-02 US disclosed
US-8846671-B2 Heterocyclic alkynyl benzene compounds and medical compositions and uses thereof GUANGZHOU INSTITUTE OF BIOMEDICINE AND HEALTH, CHINESE ACADEMY OF SCIENCES (CN) 2014-09-30 US disclosed
US-20070149553-A1 Mitotic kinesin inhibitors ARRINGTON KENNETH L 2007-06-28 US disclosed
US-7235580-B2 Mitotic kinesin inhibitors MERCK & CO., INC. (US) 2007-06-26 US disclosed
US-20070142388-A1 Inhibitors of Akt activity MERCK SHARP & DOHME CORP. 2007-06-21 US disclosed
US-20070129356-A1 Mitotic kinesin inhibitors MERCK SHARP & DOHME CORP. 2007-06-07 US disclosed
US-7223738-B2 Inhibitors of Akt activity MERCK & CO., INC. (US) 2007-05-29 US disclosed
US-20070082906-A1 Inhibitors of akt activity MERCK SHARP & DOHME CORP. 2007-04-12 US disclosed
US-7192949-B2 Substituted bicyclic pyrimidinones as a mitotic kinesin KSP inhibitors MERCK & CO., INC. (US) 2007-03-20 US disclosed
US-20070060601-A1 Mitotic kinesin inhibitors MERCK SHARP & DOHME CORP. 2007-03-15 US disclosed
US-20070060601-A1 Mitotic kinesin inhibitors MERCK SHARP & DOHME CORP. 2007-03-15 US disclosed
US-20070043001-A1 Inhibitors of akt activity MERCK SHARP & DOHME CORP. 2007-02-22 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 (12 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-20230265103-A1 NOVEL INHIBITORS OF PIKFYVE AND METHODS USING SAME PIKFYVE, PIK3CD, PIK3R5 CHRNB2 4013/4885CHRNB4 3980/4885CHRNA3 4159/4885
US-20070149553-A1 Mitotic kinesin inhibitors KIF5B, KIF2C, KIF18B CHRNB2 3787/4885CHRNB4 3883/4885CHRNA3 3851/4885
US-20070043001-A1 Inhibitors of akt activity MTMR1, PIK3CA, PLK1 CHRNB2 4846/4885CHRNB4 4851/4885CHRNA3 4857/4885
US-20070129356-A1 Mitotic kinesin inhibitors KIF5B, KIF2C, KIF18B CHRNB2 3684/4885CHRNB4 3836/4885CHRNA3 3766/4885
US-20150011544-A1 COMPOUNDS OF ESTROGEN-RELATED RECEPTOR MODULATORS AND THE USES THEREOF ESRRA, ESRRB, ESRRG CHRNB2 3729/4885CHRNB4 3276/4885CHRNA3 2550/4885
US-20140296216-A1 PYRIMIDO[4,5-D]PYRIMIDINYL COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF EGFR, ERBB2, ERBB4 CHRNB2 4620/4885CHRNB4 4548/4885CHRNA3 4637/4885
US-20070082906-A1 Inhibitors of akt activity AKT2, AKT1, AKT3 CHRNB2 4836/4885CHRNB4 4849/4885CHRNA3 4835/4885
US-20070060601-A1 Mitotic kinesin inhibitors KIF5B, KIF2C, KIF18B CHRNB2 3576/4885CHRNB4 3767/4885CHRNA3 3448/4885
US-20220340577-A1 GCN2 INHIBITORS AND USES THEREOF EIF2AK4, GCN1, GCGR CHRNB2 4253/4885CHRNB4 4695/4885CHRNA3 4780/4885
US-20070142388-A1 Inhibitors of Akt activity AKT2, AKT1, AKT3 CHRNB2 4848/4885CHRNB4 4866/4885CHRNA3 4835/4885
US-10988477-B2 GCN2 inhibitors and uses thereof EIF2AK4, GCN1, EIF2AK1 CHRNB2 4609/4885CHRNB4 4838/4885CHRNA3 4829/4885
US-20190233425-A1 GCN2 INHIBITORS AND USES THEREOF EIF2AK4, GCN1, GCGR CHRNB2 4253/4885CHRNB4 4695/4885CHRNA3 4780/4885

“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.