SCHEMBL3963977

SCHEMBL3963977

CC(C)N1CCN(Cc2c(-c3ccccc3)nc3ccccc3c2C(=O)NNC2CCCCC2)CC1

nearest known ligand 0.86

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 17/20 0.86
TACR3 P29371 17/20 0.86
OPRM1 P35372 8/20 0.86
KCNH2 Q12809 1/20 0.64
TRPV4 Q9HBA0 3/20 0.61

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
SCHEMBL5734797 0.93 TACR2 (1.00) TACR2TACR3OPRM1KCNH2TRPV4
SCHEMBL5733958 0.87 TACR2 (1.00) TACR2TACR3OPRM1KCNH2TRPV4
SCHEMBL3969337 0.85 TACR2 (0.79) TACR2TACR3OPRM1KCNH2TRPV4
SCHEMBL3962728 0.83 TACR2 (0.79) TACR2TACR3OPRM1KCNH2TRPV4
SCHEMBL5733338 0.83 TACR2 (0.79) TACR2TACR3OPRM1KCNH2TRPV4
SCHEMBL5733729 0.83 TACR2 (0.81) TACR2TACR3OPRM1KCNH2TRPV4
Hydrochloric Acid SCHEMBL5732533 0.82 TACR2 (0.77) TACR2TACR3OPRM1KCNH2TRPV4
SCHEMBL5733965 0.82 TACR2 (0.77) TACR2TACR3OPRM1KCNH2TRPV4
SCHEMBL6277804 0.82 TACR3 (0.70) TACR2TACR3OPRM1KCNH2TRPV4
SCHEMBL3956447 0.82 TACR3 (0.84) TACR2TACR3OPRM1KCNH2TRPV4

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 5 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
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

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-20060089348-A1 Substituted quinoline-4-carboxylic hydrazides as nk-2/nk-3 receptor ligands HRH4, HRH3, HRH2 TACR2 6/4885TACR3 8/4885OPRM1 370/4885
US-20070203119-A1 Combination Therapy For The Treatment Of Schizophrenia HTR3B, HTR3A, TACR2 TACR2 3/4885TACR3 15/4885OPRM1 115/4885

“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.