SCHEMBL756430

SCHEMBL756430

CN(C[C@@H](CCO)c1ccc(Cl)c(Cl)c1)C(=O)c1cc(C#N)cc2ccccc12

nearest known ligand 0.64

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 17/20 0.64
TACR1 P25103 6/20 0.64
TACR3 P29371 5/20 0.64

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
SCHEMBL6668994 1.00 TACR2 (0.64) TACR2TACR1TACR3
SCHEMBL7666225 0.91 TACR2 (0.54) TACR2TACR1TACR3
SCHEMBL4255229 0.89 TACR2 (0.52) TACR2TACR1TACR3
SCHEMBL756153 0.89 TACR2 (0.61) TACR2TACR1TACR3
SCHEMBL6002109 0.88 TACR2 (0.59) TACR2TACR1TACR3
SCHEMBL4256214 0.88 TACR2 (0.59) TACR2TACR1TACR3
SCHEMBL5015402 0.87 TACR2 (0.71) TACR2TACR1TACR3
SCHEMBL7668591 0.87 TACR2 (0.51) TACR2TACR1TACR3
SCHEMBL4257601 0.86 TACR2 (0.72) TACR2TACR1TACR3
Acetic Acid SCHEMBL7692910 0.86 TACR2 (0.57) TACR2TACR1TACR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1954678-B1 NOVEL NK1 AND NK2 ANTAGONISTS ABBOTT PRODUCTS GMBH (DE) 2012-03-21 EP disclosed
US-6821973-B2 ANTAGONIZE THE PHARMACOLOGICAL ACTIONS OF THE ENDOGENOUS NEUROPEPTIDE TACHYKININS KNOWN AS NEUROKININS ASTRAZENECA AB (SE) 2004-11-23 US disclosed
EP-1169302-B1 N-(2-PHENYL-4-AMINO-BUTYL)-1-NAPHTHAMIDES AS NEUROKININ-1 RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2004-09-29 EP disclosed
US-20040106610-A1 Compounds BERNSTEIN PETER ROBERT (US) 2004-06-03 US disclosed
US-6586432-B2 Peptide neurotransmitter suppressors such as N-((-2-(3,4-dichlorophenyl)-4-morholino)butyl)-N-methyl-2-methoxy-3-cyano-1 -naphthamide, used for prophylaxis of arthritis, pain, alzheimer's disease, schizophrenia, edema, rhinitis or asthma ASTRAZENELA AB (SE) 2003-07-01 US disclosed
US-20030092713-A1 Neurokinin-1 receptor antagonists BERNSTEIN PETER ROBERT (US) 2003-05-15 US disclosed
US-6476077-B1 N-(2-phenyl-4-amino-butyl)-1-naphthamides as neurokinin-1 receptor antagonists ASTRAZENECA AB (SE) 2002-11-05 US disclosed
US-6365602-B1 FOR THERAPY OF DEPRESSION, ANXIETY, ASTHMA, PAIN, INFLAMMATION, URINARY INCONTINENCE AND OTHER DISEASE CONDITIONS ASTRA ZENECA AB (SE) 2002-04-02 US disclosed
EP-1169302-A1 N-(2-PHENYL-4-AMINO-BUTYL)-1-NAPHTHAMIDES AS NEUROKININ-1 RECEPTOR ANTAGONISTS AstraZeneca AB (SE) 2002-01-09 EP disclosed
EP-1097137-A1 N-SUBSTITUTED NAPHTHALENE CARBOXAMIDES AS NEUROKININ-RECEPTOR ANTAGONISTS AstraZeneca AB (SE) 2001-05-09 EP disclosed
WO-2000059873-A1 N-(2-PHENYL-4-AMINO-BUTYL)-1-NAPHTHAMIDES AS NEUROKININ-1 RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2000-10-12 WO disclosed
WO-2000002859-A1 N-SUBSTITUTED NAPHTHALENE CARBOXAMIDES AS NEUROKININ-RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2000-01-20 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-20040106610-A1 Compounds NR2C2, NR0B2, NR5A2 TACR2 1493/4885TACR1 2195/4885TACR3 1912/4885
US-20030092713-A1 Neurokinin-1 receptor antagonists NTSR2, NTSR1, CRHR2 TACR2 5/4885TACR1 6/4885TACR3 35/4885

“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.