SCHEMBL1450435

SCHEMBL1450435

Cc1cc2[c]cccc2cn1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.53
CYP2A6 P11509 1/20 0.53
UHRF1 Q96T88 2/20 0.36
PSMD14 O00487 2/20 0.33
COPS5 Q92905 2/20 0.33
PDPK1 O15530 1/20 0.31
KDM4E B2RXH2 1/20 0.30
CCR1 P32246 1/20 0.30
CCR5 P51681 1/20 0.30
CCR8 P51685 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
SCHEMBL5658413 0.85 CYP1A2 (0.53) CYP1A2CYP2A6UHRF1PSMD14COPS5
SCHEMBL5658382 0.77 GABRP (0.33) CYP1A2CYP2A6PDPK1
SCHEMBL5660167 0.77 NCF1 (0.34) CYP1A2CYP2A6KDM4E
SCHEMBL11149746 0.73 ALDH1A1 (0.37) CYP2A6CCR1
SCHEMBL5660696 0.73 TRPV4 (0.40)
SCHEMBL5661365 0.72 KMT2A (0.39) KDM4E
SCHEMBL756551 0.71 CYP2A6 (0.32) CYP2A6
SCHEMBL9169786 0.71 CYP2A6 (0.34) CYP1A2CYP2A6CCR1CCR8
SCHEMBL5659107 0.71 LCK (0.46) CYP1A2PSMD14KDM4E
SCHEMBL5657567 0.70 HRH1 (0.37) PDPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1506166-B1 AMINOTETRALIN-DERIVED UREA MODULATORS OF VANILLOID VR1 RECEPTOR JANSSEN PHARMACEUTICA NV (BE) 2011-11-16 EP claimed
WO-2011131712-A1 METAL HYBRID COMPOSITE CASTING Rheinisch-Westfälische Technische Hochschule Aachen (DE) 2011-10-27 WO claimed
US-7678812-B2 Aminotetralin-derived urea modulators of vanilloid VR1 receptor JANSSEN PHARMACEUTICA NV (BE) 2010-03-16 US claimed
US-20080097102-A1 AMINOTETRALIN-DERIVED UREA MODULATORS OF VANILLOID VR1 RECEPTOR CODD ELLEN 2008-04-24 US claimed
US-6984647-B2 Aminotetralin-derived urea modulators of vanilloid VR1 receptor JANSSEN PHARMACEUTICA N.V. (BE) 2006-01-10 US claimed
EP-1506166-A1 AMINOTETRALIN-DERIVED UREA MODULATORS OF VANILLOID VR1 RECEPTOR JANSSEN PHARMACEUTICA N.V. (BE) 2005-02-16 EP claimed
US-20030236280-A1 Aminotetralin-derived urea modulators of vanilloid VR1 receptor JANSSEN PHARMACEUTICA, N.V. (BE) 2003-12-25 US claimed
WO-2003097586-A1 AMINOTETRALIN-DERIVED UREA MODULATORS OF VANILLOID VR1 RECEPTOR JANSSEN PHARMACEUTICA N.V. (BE) 2003-11-27 WO claimed
US-4269842-A Method for treating rhinoviral complaints RHONE-POULENC INDUSTRIES (FR) 1981-05-26 US claimed
US-4261999-A ANALGESIC, ANTIINFLAMMATORY, ANTIPYRETIC RHONE-POULENC INDUSTRIES (FR) 1981-04-14 US claimed
US-4189480-A ANALGESIC, ANTIINFLAMMATORY, ANTIPYRETIC RHONE-POULENC INDUSTRIES (FR) 1980-02-19 US claimed
US-8569505-B2 Aminotetralin-derived urea modulators of vanilloid VR1 receptor JANSSEN PHARMACEUTICA, NV (BE) 2013-10-29 US disclosed
US-8383839-B2 Heterocyclidene acetamide derivative MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2013-02-26 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
WO-2003097586-A1 AMINOTETRALIN-DERIVED UREA MODULATORS OF VANILLOID VR1 RECEPTOR JANSSEN PHARMACEUTICA N.V. (BE) 2003-11-27 WO disclosed
US-4269842-A Method for treating rhinoviral complaints RHONE-POULENC INDUSTRIES (FR) 1981-05-26 US disclosed
US-4269842-A Method for treating rhinoviral complaints RHONE-POULENC INDUSTRIES (FR) 1981-05-26 US disclosed
US-4261999-A ANALGESIC, ANTIINFLAMMATORY, ANTIPYRETIC RHONE-POULENC INDUSTRIES (FR) 1981-04-14 US disclosed
US-4189480-A ANALGESIC, ANTIINFLAMMATORY, ANTIPYRETIC RHONE-POULENC INDUSTRIES (FR) 1980-02-19 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 (2 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-20080097102-A1 AMINOTETRALIN-DERIVED UREA MODULATORS OF VANILLOID VR1 RECEPTOR UTS2R, TRPV1, GPR17 CYP1A2 1934/4885CYP2A6 1166/4885UHRF1 1019/4885
US-20030236280-A1 Aminotetralin-derived urea modulators of vanilloid VR1 receptor UTS2R, TRPV6, TRPV1 CYP1A2 1977/4885CYP2A6 1018/4885UHRF1 970/4885

“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.