SCHEMBL4426879

SCHEMBL4426879

Cc1cc(-c2ccc(C(=O)O)cc2)ccn1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.55
RXRB P28702 1/20 0.55
DYRK1A Q13627 1/20 0.54
PSEN1 P49768 5/20 0.51
PSEN2 P49810 5/20 0.51
APH1B Q8WW43 5/20 0.51
NCSTN Q92542 5/20 0.51
APH1A Q96BI3 5/20 0.51
PSENEN Q9NZ42 5/20 0.51
WNT3A P56704 4/20 0.51
PORCN Q9H237 1/20 0.51
CCNC P24863 1/20 0.49
CDK8 P49336 1/20 0.49
PIK3CB P42338 1/20 0.48
GRIK1 P39086 1/20 0.47
GRIK2 Q13002 1/20 0.47
GRIK3 Q13003 1/20 0.47
MKNK1 Q9BUB5 1/20 0.47
MKNK2 Q9HBH9 1/20 0.47
GPBAR1 Q8TDU6 2/20 0.47

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
Hydrochloric Acid SCHEMBL1492634 0.98 RXRA (0.53) RXRARXRBDYRK1APSEN1PSEN2
Dimethylamine SCHEMBL7231517 0.95 PSEN1 (0.51) RXRARXRBDYRK1APSEN1PSEN2
SCHEMBL18708472 0.83 RAB9A (0.60) RXRARXRB
SCHEMBL14072799 0.83 KMO (0.58) RXRARXRBPSEN1PSEN2APH1B
SCHEMBL30393655 0.83 KMO (0.58) RXRARXRBPSEN1PSEN2APH1B
SCHEMBL6748946 0.81 LOXL2 (0.57) RXRARXRBMKNK1MKNK2
SCHEMBL28284992 0.81 KDM4E (0.66) RXRARXRBGRIK1GRIK2GRIK3
SCHEMBL30899157 0.81 LOXL2 (0.57) RXRARXRBMKNK1MKNK2
SCHEMBL1492671 0.81 DYRK1A (0.58) DYRK1APSEN1PSEN2APH1BNCSTN
SCHEMBL4894953 0.80 LOXL2 (0.56) RXRARXRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102083794-A Urea compounds as gamma secretase modulators AMGEN INC 2011-06-01 CN disclosed
US-7538121-B2 Vanilloid receptor modulators GLAXO GROUP LIMITED (GB) 2009-05-26 US disclosed
EP-2033953-A1 Vanilloid receptor modulators Glaxo Group Limited (GB) 2009-03-11 EP disclosed
US-7429604-B2 Six-membered heterocycles useful as serine protease inhibitors BRISTOL MYERS SQUIBB COMPANY (US) 2008-09-30 US disclosed
US-20070129371-A1 Novel ethylenediamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-06-07 US disclosed
US-20070129371-A1 Novel ethylenediamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-06-07 US disclosed
US-20060142333-A1 Vanilloid receptor modulators MACDONALD GREGOR J 2006-06-29 US disclosed
CN-1745071-A Novel ethylenediamine derivative DAIICHI SEIYAKU CO (JP) 2006-03-08 CN disclosed
CN-1220682-C Heterocyclic derivatives which inhibit factor Xa ZENECA LTD (GB) 2005-09-28 CN disclosed
US-6936610-B2 Heterocyclic derivatives ASTRAZENECA UK LIMITED (GB) 2005-08-30 US disclosed
US-20030195203-A1 Heterocyclic derivatives ASTRAZENECA UK LIMITED (GB) 2003-10-16 US disclosed
WO-2003068749-A1 VANILLOID RECEPTOR MODULATORS GLAXO GROUP LIMITED (GB) 2003-08-21 WO disclosed
US-6300330-B1 BLOOD COAGULATION FACTOR X INHIBITORS AS ANTICOAGULANTS ZENECA LIMITED (GB) 2001-10-09 US disclosed
CN-1278793-A Sulfonyl derivatives DAIICHI SEIYAKU CO (JP) 2001-01-03 CN disclosed
CN-1260781-A Indole derivatives having combined 5HT1A, 5HT1B and 5HT1D receptor antagonist activity SMITHKLINE BEECHAM PLC (GB) 2000-07-19 CN disclosed
EP-0975593-A1 INDOLE DERIVATIVES HAVING COMBINED 5HT1A, 5HT1B AND 5HT1D RECEPTOR ANTAGONIST ACTIVITY SMITHKLINE BEECHAM PLC (GB) 2000-02-02 EP disclosed
CN-1235597-A Heterocycle derivatives inhibiting factor Xa ZENECA LTD (GB) 1999-11-17 CN disclosed
EP-0937048-A1 HETEROCYCLE DERIVATIVES WHICH INHIBIT FACTOR Xa ZENECA LIMITED (GB) 1999-08-25 EP disclosed
WO-1998050358-A1 INDOLE DERIVATIVES HAVING COMBINED 5HT1A, 5HT1B AND 5HT1D RECEPTOR ANTAGONIST ACTIVITY SMITHKLINE BEECHAM PLC (GB) 1998-11-12 WO disclosed
WO-1998021188-A1 HETEROCYCLE DERIVATIVES WHICH INHIBIT FACTOR Xa ZENECA LIMITED (GB) 1998-05-22 WO 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 (3 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-20070129371-A1 Novel ethylenediamine derivatives C1R, C9, C1S RXRA 2631/4885RXRB 2366/4885DYRK1A 2209/4885
US-20030195203-A1 Heterocyclic derivatives F12, F11, F2 RXRA 2104/4885RXRB 2653/4885DYRK1A 3549/4885
US-20060142333-A1 Vanilloid receptor modulators TRPV1, NPSR1, TRPV3 RXRA 415/4885RXRB 438/4885DYRK1A 2168/4885

“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.