SCHEMBL3337797

SCHEMBL3337797

Cc1cc(F)ccc1[C@H]1C[C@H](N2CCN3C(=O)CC[C@@H]3C2)CCN1C(=O)O

nearest known ligand 0.67

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 17/20 0.67
SIGMAR1 Q99720 2/20 0.67
PTAFR P25105 1/20 0.67
CYP2D6 P10635 1/20 0.47
CYP2B6 P20813 1/20 0.47
SETD2 Q9BYW2 1/20 0.47
CYP3A4 P08684 2/20 0.46

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
SCHEMBL3317448 1.00 TACR1 (0.67) TACR1SIGMAR1PTAFRCYP2D6CYP2B6
SCHEMBL3316513 1.00 TACR1 (0.67) TACR1SIGMAR1PTAFRCYP2D6CYP2B6
SCHEMBL2487458 1.00 TACR1 (0.67) TACR1SIGMAR1PTAFRCYP2D6CYP2B6
SCHEMBL3316519 1.00 TACR1 (0.67) TACR1SIGMAR1PTAFRCYP2D6CYP2B6
SCHEMBL3314767 1.00 TACR1 (0.67) TACR1SIGMAR1PTAFRCYP2D6CYP2B6
SCHEMBL2486644 1.00 TACR1 (0.67) TACR1SIGMAR1PTAFRCYP2D6CYP2B6
SCHEMBL3338163 1.00 TACR1 (0.67) TACR1SIGMAR1PTAFRCYP2D6CYP2B6
SCHEMBL3313878 1.00 TACR1 (0.67) TACR1SIGMAR1PTAFRCYP2D6CYP2B6
SCHEMBL5619451 0.87 TACR1 (0.52) TACR1SIGMAR1PTAFRCYP3A4
SCHEMBL5619731 0.87 TACR1 (0.52) TACR1SIGMAR1PTAFRCYP3A4

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-20100152446-A1 Piperidine Derivatives NERRE THERAPEUTICS LIMITED (GB) 2010-06-17 US disclosed
EP-1666465-B1 Composition comprising a tachykinin receptor antagonist and a selective serotonin reuptake inhibitor GLAXO GROUP LTD (GB) 2008-05-07 EP disclosed
US-7189713-B2 Piperidine derivatives GLAXO GROUP LIMITED (GB) 2007-03-13 US disclosed
EP-1666465-A1 Composition comprising a tachykinin receptor antagonist and a selective serotonin reuptake inhibitor GLAXO GROUP LIMITED (GB) 2006-06-07 EP disclosed
US-20050176715-A1 Piperidine derivatives NERRE THERAPEUTICS LIMITED (GB) 2005-08-11 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-20050176715-A1 Piperidine derivatives NPSR1, NPY5R, SSTR5 TACR1 4/4885SIGMAR1 37/4885PTAFR 2560/4885
US-20100152446-A1 Piperidine Derivatives NPSR1, NPY5R, NPY4R TACR1 5/4885SIGMAR1 31/4885PTAFR 2477/4885

“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.