SCHEMBL2000106

SCHEMBL2000106

CNCC1CCCN1C(C)C

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.34
GLP1R P43220 12/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HTT P42858 1/20 0.32
KCNH2 Q12809 1/20 0.32
SMO Q99835 1/20 0.32
POLR1A O95602 1/20 0.31
IL1B P01584 1/20 0.30
P2RX7 Q99572 1/20 0.30

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
SCHEMBL14508530 0.94 POLR1A (0.34) CHRM3L3MBTL1GLP1RCYP3A4CYP2D6
SCHEMBL14193971 0.84 CHRM3 (0.36) CHRM3L3MBTL1GLP1RCYP3A4CYP2D6
SCHEMBL27323692 0.84 CHRM3 (0.36) CHRM3L3MBTL1GLP1RCYP3A4CYP2D6
SCHEMBL19400676 0.81 L3MBTL1 (0.36) CHRM3L3MBTL1GLP1RCYP3A4CYP2D6
SCHEMBL19400673 0.81 L3MBTL1 (0.36) CHRM3L3MBTL1GLP1RCYP3A4CYP2D6
SCHEMBL24692681 0.79 L3MBTL1 (0.30) L3MBTL1
SCHEMBL19130177 0.78 POLR1A (0.34) CHRM3L3MBTL1GLP1RCYP3A4CYP2D6
SCHEMBL14508527 0.78 L3MBTL1 (0.34) L3MBTL1HTT
SCHEMBL4373968 0.77 HTT (0.39) CHRM3L3MBTL1HTT
SCHEMBL58010 0.77 CHRM3 (0.35) CHRM3L3MBTL1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240018118-A1 TRICYCLIC COMPOUNDS TO DEGRADE NEOSUBSTRATES FOR MEDICAL THERAPY C 4 Therapeutics, Inc. (US) 2024-01-18 US disclosed
US-20240018118-A1 TRICYCLIC COMPOUNDS TO DEGRADE NEOSUBSTRATES FOR MEDICAL THERAPY C 4 Therapeutics, Inc. (US) 2024-01-18 US disclosed
US-20230149401-A1 FURIN INHIBITORS FOR TREATING CORONAVIRUS INFECTIONS BP ASSET V, INC. (US) 2023-05-18 US disclosed
US-20230011571-A1 SMALL MOLECULE FURIN INHIBITORS FOR TREATING INFECTIOUS DISEASES BP ASSET V, INC. (US) 2023-01-12 US disclosed
WO-2022081927-A1 TRICYCLIC COMPOUNDS TO DEGRADE NEOSUBSTRATES FOR MEDICAL THERAPY C4 THERAPEUTICS, INC. (US) 2022-04-21 WO disclosed
EP-3909949-A1 ATAZANAVIR (ATV) ANALOGUES FOR TREATING HIV INFECTIONS Gilead Sciences, Inc. (US) 2021-11-17 EP disclosed
EP-3577110-B1 8-OXETAN-3-YL-3,8-DIAZABICYCLO[3.2.1]OCTAN-3-YL SUBSTITUTED COMPOUNDS AS HIV INHIBITORS GILEAD SCIENCES INC (US) 2021-04-21 EP disclosed
WO-2018145021-A1 ATAZANAVIR (ATV) ANALOGUES FOR TREATING HIV INFECTIONS GILEAD SCIENCES, INC. (US) 2018-08-09 WO disclosed
US-20130310373-A1 PYRIMIDINE COMPOUND ASTELLAS PHARMA INC. (JP) 2013-11-21 US disclosed
US-8524727-B2 Pyrimidine compound ASTELLAS PHARMA INC. (JP) 2013-09-03 US disclosed
US-7960402-B2 Trans-5'-(2-fluoroethoxy)-3'-oxo-N-methyl-N-(2-piperidin-1-ylethyl)-spiro[cyclohexane-1,1'-(3'H)-isobenzofuran]-4-carboxamide hydrochloride; histamine H3 receptor antagonist or inverse agonist; metabolic disorders; circulatory diseases; nervous system diseases; psychological disorders; sleep disorders BANYU PHARMACEUTICAL CO., LTD. (JP) 2011-06-14 US disclosed
US-20110053912-A1 PYRIMIDINE COMPOUND ASTELLAS PHARMA INC. (JP) 2011-03-03 US disclosed
US-20110053912-A1 PYRIMIDINE COMPOUND ASTELLAS PHARMA INC. (JP) 2011-03-03 US disclosed
WO-2010113834-A1 PYRIMIDINE COMPOUND アステラス製薬株式会社 (JP) 2010-10-07 WO disclosed
US-20090258871-A1 Aza-Substituted Spiro Derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-10-15 US disclosed
EP-1795527-B1 CARBAMOYL-SUBSTITUTED SPIRO DERIVATIVE BANYU PHARMA CO LTD (JP) 2009-04-22 EP disclosed
EP-1953165-A1 AZA-SUBSTITUTED SPIRO DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2008-08-06 EP disclosed
US-20080171753-A1 Carbamoyl-Substituted Spiro Derivative MSD K.K. (JP) 2008-07-17 US disclosed
EP-1795527-A1 CARBAMOYL-SUBSTITUTED SPIRO DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-06-13 EP disclosed
EP-1795527-A1 CARBAMOYL-SUBSTITUTED SPIRO DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-06-13 EP 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 (7 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-20110053912-A1 PYRIMIDINE COMPOUND CNR2, CNR1, P2RY2 CHRM3 980/4885L3MBTL1 3546/4885GLP1R 497/4885
US-20130310373-A1 PYRIMIDINE COMPOUND CNR2, CNR1, P2RY2 CHRM3 728/4885L3MBTL1 3630/4885GLP1R 675/4885
US-20230011571-A1 SMALL MOLECULE FURIN INHIBITORS FOR TREATING INFECTIOUS DISEASES FURIN, LGMN, PLAU CHRM3 2050/4885L3MBTL1 3375/4885GLP1R 3543/4885
US-20230149401-A1 FURIN INHIBITORS FOR TREATING CORONAVIRUS INFECTIONS FURIN, ACE, ACE2 CHRM3 2603/4885L3MBTL1 4266/4885GLP1R 1635/4885
US-20240018118-A1 TRICYCLIC COMPOUNDS TO DEGRADE NEOSUBSTRATES FOR MEDICAL THERAPY NFATC1, CTSS, MMP12 CHRM3 4053/4885L3MBTL1 3664/4885GLP1R 3027/4885
US-20080171753-A1 Carbamoyl-Substituted Spiro Derivative HRH3, HRH4, HRH2 CHRM3 63/4885L3MBTL1 2267/4885GLP1R 82/4885
US-20090258871-A1 Aza-Substituted Spiro Derivatives AZI2, NR3C2, DNMT3A CHRM3 587/4885L3MBTL1 1394/4885GLP1R 391/4885

“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.