SCHEMBL12015779

SCHEMBL12015779

COCCNc1cncc(C(C)C)c1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HTR7 P34969 4/20 0.45
▸ ADRA1D P25100 1/20 0.41
▸ HTR2C P28335 1/20 0.41
▸ ADRA1A P35348 1/20 0.41
▸ ADRA1B P35368 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ KCNH3 Q9ULD8 3/20 0.36
▸ RIPK2 O43353 1/20 0.34
▸ CRHR1 P34998 3/20 0.34
▸ LMNA P02545 2/20 0.33
▸ HCAR3 P49019 1/20 0.33
▸ P2RX3 P56373 1/20 0.33
▸ P2RX2 Q9UBL9 1/20 0.33
▸ EGLN2 Q96KS0 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ NCF1 P14598 1/20 0.33

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
SCHEMBL12015776 0.80 HTR7 (0.40) HTR7ADRA1DHTR2CADRA1AADRA1B
SCHEMBL12017843 0.78 ATM (0.40) HTR7ADRA1DHTR2CADRA1AADRA1B
SCHEMBL13436332 0.77 KDR (0.41) HTR7ADRA1DHTR2CADRA1AADRA1B
SCHEMBL31313551 0.77 HTR7 (0.38) HTR7ADRA1DHTR2CADRA1AADRA1B
SCHEMBL12015749 0.75 L3MBTL1 (0.44) HTR7L3MBTL1KCNH3CRHR1CYP1A2
SCHEMBL13466389 0.75 L3MBTL1 (0.59) L3MBTL1
SCHEMBL19964077 0.74 HRH3 (0.38) HTR7ADRA1DHTR2CADRA1AADRA1B
SCHEMBL25715328 0.73 CYP11B1 (0.41) L3MBTL1CRHR1LMNAHCAR3P2RX3
SCHEMBL13467100 0.73 LMNA (0.50) LMNAALDH1A1CYP1A2CYP3A4CYP2C19
SCHEMBL18610936 0.71 P2RX3 (0.45) L3MBTL1KCNH3CRHR1LMNAHCAR3

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230018729-A1 TL1A PATIENT SELECTION METHODS, SYSTEMS, AND DEVICES PROMETHEUS BIOSCIENCES, INC. 2023-01-19 — — US disclosed
US-20180072703-A1 PYRIDINE AND PYRAZINE COMPOUNDS AS INHIBITORS OF RIPK2 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2018-03-15 — — US disclosed
US-8778929-B2 Substituted heteroaryl inhibitors of B-RAF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-07-15 — — US disclosed
US-8778929-B2 Substituted heteroaryl inhibitors of B-RAF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-07-15 — — US disclosed
US-20130243754-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE TARGEGEN, INC. (US) 2013-09-19 — — US disclosed
US-8372971-B2 Heterocyclic compounds and methods of use TARGEGEN, INC. (US) 2013-02-12 — — US disclosed
US-8372971-B2 Heterocyclic compounds and methods of use TARGEGEN, INC. (US) 2013-02-12 — — US disclosed
US-20120220584-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE TARGEGEN, INC. (US) 2012-08-30 — — US disclosed
US-20120220584-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE TARGEGEN, INC. (US) 2012-08-30 — — US disclosed
US-8084618-B2 Heterocyclic compounds and methods of use TARGEGEN, INC. (US) 2011-12-27 — — US disclosed
US-8084618-B2 Heterocyclic compounds and methods of use TARGEGEN, INC. (US) 2011-12-27 — — US disclosed
US-20110312939-A1 NEW CHEMICAL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-12-22 — — US disclosed
US-20110312939-A1 NEW CHEMICAL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-12-22 — — US disclosed
US-20100330069-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE TARGEGEN, INC. (US) 2010-12-30 — — US disclosed
WO-2010034838-A2 NEW CHEMICAL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-01 — — WO disclosed
US-7652051-B2 Heterocyclic compounds and methods of use TARGEGEN, INC. (US) 2010-01-26 — — US disclosed
US-7652051-B2 Heterocyclic compounds and methods of use TARGEGEN, INC. (US) 2010-01-26 — — 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 (6 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-20120220584-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE AADAC, NISCH, PAICS HTR7 56/4885ADRA1D 3388/4885HTR2C 29/4885
US-20230018729-A1 TL1A PATIENT SELECTION METHODS, SYSTEMS, AND DEVICES TLL1, TLN1, TSG101 HTR7 3505/4885ADRA1D 3087/4885HTR2C 3743/4885
US-20110312939-A1 NEW CHEMICAL COMPOUNDS CCNA1, CCNT1, MKI67 HTR7 3581/4885ADRA1D 474/4885HTR2C 2673/4885
US-20130243754-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE AADAC, NISCH, PAICS HTR7 56/4885ADRA1D 3388/4885HTR2C 29/4885
US-20180072703-A1 PYRIDINE AND PYRAZINE COMPOUNDS AS INHIBITORS OF RIPK2 RIPK2, RIPK1, RIPK4 HTR7 2470/4885ADRA1D 4570/4885HTR2C 2382/4885
US-20100330069-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE AADAC, NISCH, PAICS HTR7 56/4885ADRA1D 3388/4885HTR2C 29/4885

“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.

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