SCHEMBL1734396

SCHEMBL1734396

COCOc1ccc(CN)cc1OC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.53
ATM Q13315 2/20 0.53
CA2 P00918 1/20 0.50
CYP19A1 P11511 1/20 0.46
CALM1 P0DP23 1/20 0.44
AOC3 Q16853 1/20 0.44
ALDH1A1 P00352 2/20 0.43
PPARG P37231 1/20 0.43
PPARD Q03181 1/20 0.43
PPARA Q07869 1/20 0.43
LOX P28300 1/20 0.43
LOXL2 Q9Y4K0 1/20 0.43
CSNK2A1 P68400 2/20 0.42
GAA P10253 2/20 0.42
TSHR P16473 2/20 0.42
TAAR1 Q96RJ0 2/20 0.42
CYP1A2 P05177 2/20 0.42
CYP3A4 P08684 2/20 0.42
POLB P06746 1/20 0.42
MAPK1 P28482 1/20 0.42

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
SCHEMBL10428547 0.93 CSNK2A1 (0.45) KDM4EATMCA2CYP19A1ALDH1A1
SCHEMBL19409880 0.85 ATM (0.70) KDM4EATMCA2CYP19A1AOC3
SCHEMBL29535675 0.85 ATM (0.70) KDM4EATMCA2CYP19A1AOC3
SCHEMBL44393 0.85 ATM (0.70) KDM4EATMCA2CYP19A1AOC3
SCHEMBL6943325 0.84 KDM4E (0.51) KDM4EATMCA2CYP19A1ALDH1A1
SCHEMBL5708146 0.84 CALM1 (0.61) KDM4EATMCA2CYP19A1CALM1
Hydrochloric Acid SCHEMBL9726669 0.83 ATM (0.68) KDM4EATMCA2CYP19A1AOC3
SCHEMBL8107846 0.82 KDM4E (0.58) KDM4EATMCA2CSNK2A1
Hydrochloric Acid SCHEMBL5708154 0.82 KDM4E (0.64) KDM4EATMCA2CYP19A1CALM1
SCHEMBL6301878 0.82 POLB (0.56) KDM4EATMCA2CALM1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8569505-B2 Aminotetralin-derived urea modulators of vanilloid VR1 receptor JANSSEN PHARMACEUTICA, NV (BE) 2013-10-29 US disclosed
EP-1506166-B1 AMINOTETRALIN-DERIVED UREA MODULATORS OF VANILLOID VR1 RECEPTOR JANSSEN PHARMACEUTICA NV (BE) 2011-11-16 EP disclosed
WO-2011131712-A1 METAL HYBRID COMPOSITE CASTING Rheinisch-Westfälische Technische Hochschule Aachen (DE) 2011-10-27 WO disclosed
US-20100125140-A1 AMINOTETRALIN-DERIVED UREA MODULATORS OF VANILLOID VR1 RECEPTOR CODD ELLEN 2010-05-20 US disclosed
US-7678812-B2 Aminotetralin-derived urea modulators of vanilloid VR1 receptor JANSSEN PHARMACEUTICA NV (BE) 2010-03-16 US disclosed
US-20080097102-A1 AMINOTETRALIN-DERIVED UREA MODULATORS OF VANILLOID VR1 RECEPTOR CODD ELLEN 2008-04-24 US disclosed
US-6984647-B2 Aminotetralin-derived urea modulators of vanilloid VR1 receptor JANSSEN PHARMACEUTICA N.V. (BE) 2006-01-10 US disclosed
US-20050187291-A1 use of 2-(urea or thiourea)tetralins as analgesic or to treat pulmonary dysfunction JANSSEN PHARMACEUTICA, N.V. (BE) 2005-08-25 US disclosed
EP-1506166-A1 AMINOTETRALIN-DERIVED UREA MODULATORS OF VANILLOID VR1 RECEPTOR JANSSEN PHARMACEUTICA N.V. (BE) 2005-02-16 EP disclosed
US-20030236280-A1 Aminotetralin-derived urea modulators of vanilloid VR1 receptor JANSSEN PHARMACEUTICA, N.V. (BE) 2003-12-25 US disclosed
WO-2003097586-A1 AMINOTETRALIN-DERIVED UREA MODULATORS OF VANILLOID VR1 RECEPTOR JANSSEN PHARMACEUTICA N.V. (BE) 2003-11-27 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-20100125140-A1 AMINOTETRALIN-DERIVED UREA MODULATORS OF VANILLOID VR1 RECEPTOR UTS2R, TRPV1, GPR17 KDM4E 3753/4885ATM 3990/4885CA2 2811/4885
US-20080097102-A1 AMINOTETRALIN-DERIVED UREA MODULATORS OF VANILLOID VR1 RECEPTOR UTS2R, TRPV1, GPR17 KDM4E 3753/4885ATM 3990/4885CA2 2811/4885
US-20050187291-A1 use of 2-(urea or thiourea)tetralins as analgesic or to treat pulmonary dysfunction TMEM109, UTS2R, GPR17 KDM4E 4659/4885ATM 4045/4885CA2 969/4885
US-20030236280-A1 Aminotetralin-derived urea modulators of vanilloid VR1 receptor UTS2R, TRPV6, TRPV1 KDM4E 3638/4885ATM 3895/4885CA2 2652/4885

“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.