Sugi Predict

Sugi Predict / Compounds / SCHEMBL1663008

SCHEMBL1663008

SCHEMBL1663008

CCN(CC)c1nc2cc(O)ccc2c(=O)n1-c1ccc(Cl)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 4/20 0.53
▸ TRPV1 Q8NER1 1/20 0.45
▸ ESR2 Q92731 4/20 0.43
▸ PDE10A Q9Y233 3/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ MIF P14174 1/20 0.41
▸ HTR6 P50406 1/20 0.40
▸ MAPK1 P28482 2/20 0.40
▸ LMNA P02545 1/20 0.40
▸ JUN P05412 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ EGFR P00533 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ HPGD P15428 1/20 0.38

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
SCHEMBL10446409 0.89 ESR1 (0.49) ESR1TRPV1ESR2PDE10ASMN1; SMN2
SCHEMBL1663635 0.85 PDE10A (0.52) PDE10ASMN1; SMN2MIFLMNAALDH1A1
SCHEMBL1663818 0.85 TRPV1 (0.64) ESR1TRPV1ESR2PDE10AMAPK1
SCHEMBL1664336 0.81 ESR1 (0.60) ESR1TRPV1ESR2PDE10ASMN1; SMN2
SCHEMBL1664004 0.79 ESR1 (0.84) ESR1TRPV1SMN1; SMN2MIFLMNA
SCHEMBL10446406 0.79 ESR1 (0.50) ESR1TRPV1ESR2PDE10ASMN1; SMN2
SCHEMBL1664551 0.79 PDE10A (0.50) ESR1TRPV1ESR2PDE10ASMN1; SMN2
SCHEMBL10445951 0.78 TRPV1 (0.57) ESR1TRPV1ESR2PDE10ASMN1; SMN2
SCHEMBL10446402 0.78 TRPV1 (0.57) ESR1TRPV1ESR2PDE10ASMN1; SMN2
SCHEMBL1663630 0.77 ESR1 (0.57) ESR1TRPV1ESR2PDE10ASMN1; SMN2

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-9102653-B2 Substituted quinazolinones as vanilloid antagonists NOVARTIS AG (CH) 2015-08-11 — — US disclosed
US-9102653-B2 Substituted quinazolinones as vanilloid antagonists NOVARTIS AG (CH) 2015-08-11 — — US disclosed
US-20140315932-A1 QUINAZOLINONE DERIVATIVES USEFUL AS VANILLOID ANTAGONISTS NOVARTIS AG (CH) 2014-10-23 — — US disclosed
US-20140315932-A1 QUINAZOLINONE DERIVATIVES USEFUL AS VANILLOID ANTAGONISTS NOVARTIS AG (CH) 2014-10-23 — — US disclosed
US-8809528-B2 Quinazolinone derivatives useful as vanilloid antagonists NOVARTIS AG (CH) 2014-08-19 — — US disclosed
US-8809528-B2 Quinazolinone derivatives useful as vanilloid antagonists NOVARTIS AG (CH) 2014-08-19 — — US disclosed
US-20120184571-A1 QUINAZOLINONE DERIVATIVES USEFUL AS VANILLOID ANTAGONISTS NOVARTIS AG 2012-07-19 — — US disclosed
US-20120184571-A1 QUINAZOLINONE DERIVATIVES USEFUL AS VANILLOID ANTAGONISTS NOVARTIS AG 2012-07-19 — — US disclosed
US-8211902-B2 Quinazolinone derivatives useful as vanilloid antagonists NOVARTIS AG (CH) 2012-07-03 — — US disclosed
US-8211902-B2 Quinazolinone derivatives useful as vanilloid antagonists NOVARTIS AG (CH) 2012-07-03 — — US disclosed
EP-2305652-A2 Trisubstituted quinazolinone derivatives as vanilloid antagonists Novartis AG (CH) 2011-04-06 — — EP disclosed
US-20090082365-A1 Trisubstituted Quinazolinone Derivatives as Vanilloid Antagonists NOVARTIS AG 2009-03-26 — — US disclosed
US-20090082365-A1 Trisubstituted Quinazolinone Derivatives as Vanilloid Antagonists NOVARTIS AG 2009-03-26 — — US disclosed
US-20090082365-A1 Trisubstituted Quinazolinone Derivatives as Vanilloid Antagonists NOVARTIS AG 2009-03-26 — — US disclosed
CN-101356160-A Trisubstituted quinazolinone derivatives as vanilloid antagonists JANSSEN PHARMACEUTICA NV (CH) 2009-01-28 — — CN disclosed
EP-1963283-A2 TRISUBSTITUTED QUINAZOLINONE DERIVATIVES AS VANILLOID ANTAGONISTS Novartis AG (CH) 2008-09-03 — — EP disclosed
US-20080194595-A1 Bone disorders; osteoporosis; analgesics; muscular disorders; inflammatory bowel disorders CITIBANK, N.A., AS NOTES COLLATERAL AGENT 2008-08-14 — — US disclosed
US-20080194595-A1 Bone disorders; osteoporosis; analgesics; muscular disorders; inflammatory bowel disorders CITIBANK, N.A., AS NOTES COLLATERAL AGENT 2008-08-14 — — US disclosed
WO-2007065662-A2 TRISUBSTITUTED QUINAZOLINONE DERIVATIVES AS VANILLOID ANTAGONISTS NOVARTIS AG (CH) 2007-06-14 — — WO disclosed
WO-2007065662-A2 TRISUBSTITUTED QUINAZOLINONE DERIVATIVES AS VANILLOID ANTAGONISTS NOVARTIS AG (CH) 2007-06-14 — — 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 (4 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-20080194595-A1 Bone disorders; osteoporosis; analgesics; muscular disorders; inflammatory bowel disorders CACNA1A, ALPI, CACNA1E ESR1 2832/4885TRPV1 57/4885ESR2 2694/4885
US-20140315932-A1 QUINAZOLINONE DERIVATIVES USEFUL AS VANILLOID ANTAGONISTS TRPV1, TRPV3, CACNA1A ESR1 2643/4885TRPV1 1/4885ESR2 3042/4885
US-20090082365-A1 Trisubstituted Quinazolinone Derivatives as Vanilloid Antagonists TRPV1, TRPV3, TRPV5 ESR1 1321/4885TRPV1 1/4885ESR2 2159/4885
US-20120184571-A1 QUINAZOLINONE DERIVATIVES USEFUL AS VANILLOID ANTAGONISTS TRPV1, TRPV3, TRPV5 ESR1 2881/4885TRPV1 1/4885ESR2 3386/4885

“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.