SCHEMBL6836873

SCHEMBL6836873

CN(CCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)[C@H](c1ccccc1)N1CCC(N(C)CCCO)CC1

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 15/20 0.57
UBE2M P61081 1/20 0.41
DCUN1D1 Q96GG9 1/20 0.41
SCN5A Q14524 1/20 0.40
SCN9A Q15858 1/20 0.40
TACR3 P29371 1/20 0.40
AGTR2 P50052 1/20 0.40
CCR2 P41597 2/20 0.39

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
SCHEMBL3475829 1.00 TACR1 (0.57) TACR1UBE2MDCUN1D1SCN5ASCN9A
SCHEMBL3472665 0.91 TACR1 (0.56) TACR1UBE2MDCUN1D1SCN5ASCN9A
SCHEMBL7007590 0.91 TACR1 (0.56) TACR1UBE2MDCUN1D1SCN5ASCN9A
SCHEMBL3473472 0.89 TACR1 (0.53) TACR1UBE2MDCUN1D1SCN5ASCN9A
SCHEMBL3473136 0.89 TACR1 (0.53) TACR1UBE2MDCUN1D1SCN5ASCN9A
SCHEMBL3475643 0.89 TACR1 (0.58) TACR1UBE2MDCUN1D1SCN5ASCN9A
SCHEMBL6836750 0.89 TACR1 (0.58) TACR1UBE2MDCUN1D1SCN5ASCN9A
SCHEMBL7009113 0.88 TACR1 (0.57) TACR1UBE2MDCUN1D1SCN5ASCN9A
SCHEMBL7075456 0.88 TACR1 (0.57) TACR1UBE2MDCUN1D1SCN5ASCN9A
SCHEMBL5457820 0.86 TACR1 (0.70) TACR1SCN5ASCN9ATACR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6747044-B2 ANTIINFLAMMATORY AGENTS; ANTIALLERGENS; ANTIULCER AGENTS BOEHRINGER INGELHEIM PHARMA KG (DE) 2004-06-08 US disclosed
EP-1328516-A1 NOVEL NEUROKININ ANTAGONISTS, METHOD FOR THE PRODUCTION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAID COMPOUNDS Boehringer Ingelheim Pharma KG (DE) 2003-07-23 EP disclosed
US-20030100565-A1 Method for the treatment or prevention of atopic dermatitis BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2003-05-29 US disclosed
EP-1295599-A1 Method for the treatment of prevention of atopic dermatitis Boehringer Ingelheim International GmbH (DE) 2003-03-26 EP disclosed
US-20020147219-A1 Neurokinin antagonists BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2002-10-10 US disclosed
WO-2002032865-A1 NOVEL NEUROKININ ANTAGONISTS, METHOD FOR THE PRODUCTION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAID COMPOUNDS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2002-04-25 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 (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-20020147219-A1 Neurokinin antagonists TACR2, TACR1, TAC3 TACR1 2/4885UBE2M 4412/4885DCUN1D1 1570/4885
US-20030100565-A1 Method for the treatment or prevention of atopic dermatitis TACR1, BDKRB1, CPA3 TACR1 1/4885UBE2M 4109/4885DCUN1D1 3211/4885

“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.