SCHEMBL1450722

SCHEMBL1450722

O=C(CBr)Nc1cccc2c1CC(O)CC2

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 16/20 0.53
ALDH1A1 P00352 2/20 0.46
MEN1 O00255 1/20 0.45
LMNA P02545 1/20 0.45
THRA P10827 1/20 0.45
THRB P10828 1/20 0.45
KMT2A Q03164 1/20 0.45
KDM4E B2RXH2 1/20 0.41
POLB P06746 1/20 0.41

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
SCHEMBL5128471 1.00 TRPV1 (0.53) TRPV1ALDH1A1MEN1LMNATHRA
SCHEMBL14278338 0.86 TRPV1 (0.53) TRPV1ALDH1A1MEN1LMNATHRA
SCHEMBL1573444 0.83 TRPV1 (0.60) TRPV1
SCHEMBL4377235 0.83 TRPV1 (0.60) TRPV1
SCHEMBL3410678 0.82 TRPV1 (0.59) TRPV1
SCHEMBL30385657 0.82 TRPV1 (0.56) TRPV1ALDH1A1
SCHEMBL8672558 0.82 TRPV1 (0.56) TRPV1ALDH1A1
SCHEMBL30385365 0.82 TRPV1 (0.56) TRPV1ALDH1A1
SCHEMBL2363868 0.82 TRPV1 (0.59) TRPV1
SCHEMBL3699335 0.82 TRPV1 (0.59) TRPV1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8383839-B2 Heterocyclidene acetamide derivative MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2013-02-26 US disclosed
US-20110112071-A1 NOVEL HETEROCYCLIDENE ACETAMIDE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2011-05-12 US disclosed
US-20080287428-A1 Novel Heterocyclidene Acetamide Derivative MOCHIDA PHARMACEUTICAL CO.,LTD (JP) 2008-11-20 US disclosed
EP-1908753-A1 NOVEL HETEROCYCLIDENE ACETAMIDE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2008-04-09 EP disclosed
US-20080045546-A1 Tetradydro-Naphthalene And Urea Derivatives BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-02-21 US disclosed
US-20080045546-A1 Tetradydro-Naphthalene And Urea Derivatives BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-02-21 US disclosed
US-20080045546-A1 Tetradydro-Naphthalene And Urea Derivatives BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-02-21 US disclosed
EP-1678123-A1 TETRAHYDRO-NAPHTHALENE AND UREA DERIVATIVES Bayer HealthCare AG (DE) 2006-07-12 EP disclosed
WO-2005040100-A1 TETRAHYDRO-NAPHTHALENE AND UREA DERIVATIVES BAYER HEALTHCARE AG (DE) 2005-05-06 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-20080287428-A1 Novel Heterocyclidene Acetamide Derivative TRPV1, TRPV3, TRPA1 TRPV1 1/4885ALDH1A1 2362/4885MEN1 4073/4885
US-20080045546-A1 Tetradydro-Naphthalene And Urea Derivatives NMUR1, GPR17, NMUR2 TRPV1 10/4885ALDH1A1 477/4885MEN1 3857/4885
US-20110112071-A1 NOVEL HETEROCYCLIDENE ACETAMIDE DERIVATIVE TRPV1, TRPV3, TRPA1 TRPV1 1/4885ALDH1A1 2362/4885MEN1 4073/4885

“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.