SCHEMBL3963301

SCHEMBL3963301

CCC(NNC(=O)c1c(OC)c(-c2ccccc2)nc2ccccc12)c1ccccc1

nearest known ligand 0.81

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TACR3 P29371 20/20 0.81
TACR2 P21452 6/20 0.81
CYP1A2 P05177 1/20 0.60
CYP3A4 P08684 1/20 0.60
CYP2D6 P10635 1/20 0.60
CYP2C9 P11712 1/20 0.60
TACR1 P25103 1/20 0.60
CYP2C19 P33261 1/20 0.60
OPRM1 P35372 1/20 0.60

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
SCHEMBL6447403 0.89 TACR3 (1.00) TACR3TACR2CYP1A2CYP3A4CYP2D6
SCHEMBL6447410 0.89 TACR3 (1.00) TACR3TACR2CYP1A2CYP3A4CYP2D6
SCHEMBL6452173 0.89 TACR3 (1.00) TACR3TACR2CYP1A2CYP3A4CYP2D6
SCHEMBL4603548 0.84 TACR3 (0.88) TACR3TACR2CYP1A2CYP3A4CYP2D6
SCHEMBL4602442 0.82 TACR3 (0.85) TACR3TACR2CYP1A2CYP3A4CYP2D6
SCHEMBL14094503 0.81 TACR3 (0.83) TACR3TACR2CYP1A2CYP3A4CYP2D6
SCHEMBL4667841 0.80 TACR3 (0.78) TACR3TACR2CYP1A2CYP3A4CYP2D6
SCHEMBL4601554 0.79 TACR3 (0.79) TACR3TACR2CYP1A2CYP3A4CYP2D6
SCHEMBL3963611 0.79 TACR3 (1.00) TACR3TACR2CYP3A4
SCHEMBL4878498 0.79 TACR3 (0.76) TACR3TACR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7482457-B2 Substituted quinoline-4-carboxylic hydrazides as NK-2/NK-3 receptor ligands MERCK SHARP & DOHME 2009-01-27 US claimed
US-20060089348-A1 Substituted quinoline-4-carboxylic hydrazides as nk-2/nk-3 receptor ligands MERCK SHARP & DOHME LTD. (GB) 2006-04-27 US claimed
EP-1594844-A1 SUBSTITUTED QUINOLINE-4-CARBOXYLIC HYDRAZIDES AS NK-2/NK-3 RECEPTOR LIGANDS MERCK SHARP & DOHME LTD. (GB) 2005-11-16 EP claimed
WO-2004072045-A1 SUBSTITUTED QUINOLINE-4-CARBOXYLIC HYDRAZIDES AS NK-2/NK-3 RECEPTOR LIGANDS MERCK SHARP & DOHME LIMITED (GB) 2004-08-26 WO claimed
US-20090270421-A1 INHIBITORS OF FATTY ACID AMIDE HYDROLASE THE SCRIPPS RESEARCH INSTITUTE (US) 2009-10-29 US disclosed
US-7560570-B2 Inhibitors of fatty acid amide hydrolase THE SCRIPPS RESEARCH INSTITUTE (US) 2009-07-14 US disclosed
US-7482457-B2 Substituted quinoline-4-carboxylic hydrazides as NK-2/NK-3 receptor ligands MERCK SHARP & DOHME 2009-01-27 US disclosed
US-20070203119-A1 Combination Therapy For The Treatment Of Schizophrenia MERCK SHARPE & DOHME LIMITED (GB) 2007-08-30 US disclosed
US-20060089348-A1 Substituted quinoline-4-carboxylic hydrazides as nk-2/nk-3 receptor ligands MERCK SHARP & DOHME LTD. (GB) 2006-04-27 US disclosed
EP-1594844-A1 SUBSTITUTED QUINOLINE-4-CARBOXYLIC HYDRAZIDES AS NK-2/NK-3 RECEPTOR LIGANDS MERCK SHARP & DOHME LTD. (GB) 2005-11-16 EP disclosed
US-20050239785-A1 Inhibitors of fatty acid amide hydrolase THE SCRIPPS RESEARCH INSTITUTE (US) 2005-10-27 US disclosed
US-6891043-B2 Inhibitors of fatty acid amide hydrolase THE SCRIPPS RESEARCH INSTITUTE (US) 2005-05-10 US disclosed
WO-2004072045-A1 SUBSTITUTED QUINOLINE-4-CARBOXYLIC HYDRAZIDES AS NK-2/NK-3 RECEPTOR LIGANDS MERCK SHARP & DOHME LIMITED (GB) 2004-08-26 WO disclosed
US-6462054-B1 ALPHA KETO HETEROCYCLIC PHARMACOPHORE; COMPLEMENTARY BINDING BY ELECTROPHILIC CARBONYL AND WEAKLY BASIC NITROGEN OF SUCH AS OXAZOLOPYRIDINE GROUP; SLEEP AIDS OR ANALGESICS; PRESERVING ENDOGENOUS LEVELS OF OLEAMIDE AND ANANDAMIDE THE SCRIPPS RESEARCH INSTITUTE 2002-10-08 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 (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-20060089348-A1 Substituted quinoline-4-carboxylic hydrazides as nk-2/nk-3 receptor ligands HRH4, HRH3, HRH2 TACR3 8/4885TACR2 6/4885CYP1A2 821/4885
US-20070203119-A1 Combination Therapy For The Treatment Of Schizophrenia HTR3B, HTR3A, TACR2 TACR3 15/4885TACR2 3/4885CYP1A2 780/4885
US-20090270421-A1 INHIBITORS OF FATTY ACID AMIDE HYDROLASE FAAH, FAAH2, CNR2 TACR3 1012/4885TACR2 321/4885CYP1A2 120/4885
US-20050239785-A1 Inhibitors of fatty acid amide hydrolase FAAH, FAAH2, CNR2 TACR3 1012/4885TACR2 321/4885CYP1A2 120/4885

“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.