SCHEMBL4010552

SCHEMBL4010552

O=C(OCc1ccccc1)N1CC=C(c2ccccn2)CC1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 3/20 0.64
LNPEP Q9UIQ6 1/20 0.50
GRIN2B Q13224 3/20 0.49
GRM1 Q13255 2/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
ALDH1A1 P00352 1/20 0.49
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
PRMT1 Q99873 1/20 0.47
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
AOC3 Q16853 1/20 0.45
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
PPARG P37231 1/20 0.44
PPARA Q07869 1/20 0.44
SIGMAR1 Q99720 1/20 0.44

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
SCHEMBL13490526 0.85 GRM5 (0.53) GRM5LNPEPGRIN2BGRM1SMN1; SMN2
SCHEMBL1577496 0.84 GRM5 (0.52) GRM5LNPEPGRIN2BGRM1SMN1; SMN2
SCHEMBL30365847 0.84 GRM5 (0.52) GRM5LNPEPGRIN2BGRM1SMN1; SMN2
SCHEMBL13490532 0.84 GRM5 (0.52) GRM5LNPEPGRIN2BGRM1SMN1; SMN2
SCHEMBL30899650 0.84 GRM5 (0.52) GRM5LNPEPGRIN2BGRM1SMN1; SMN2
SCHEMBL24265543 0.84 GRM5 (0.52) GRM5LNPEPGRIN2BGRM1SMN1; SMN2
SCHEMBL171369 0.84 GRM5 (0.52) GRM5LNPEPGRIN2BSMN1; SMN2ALDH1A1
SCHEMBL171485 0.84 GRM5 (0.52) GRM5LNPEPGRIN2BGRM1SMN1; SMN2
SCHEMBL29574203 0.84 GRM5 (0.52) GRM5LNPEPGRIN2BGRM1SMN1; SMN2
SCHEMBL8315932 0.84 MEN1 (0.57) GRM5LNPEPSMN1; SMN2ALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7528134-B2 Acetamides and benzamides that are useful in treating sexual dysfunction ABBOTT LABORATORIES INC. (US) 2009-05-05 US disclosed
US-20060009461-A1 Acetamides and benzamides that are useful in treating sexual dysfunction BHATIA PRAMILA A 2006-01-12 US disclosed
US-20040029887-A1 Acetamides and benzamides that are useful in treating sexual dysfunction ABBOTT LABORATORIES 2004-02-12 US disclosed
US-20030232836-A1 Acetamides and benzamides that are useful in treating sexual dysfunction ABBOTT LABORATORIES 2003-12-18 US disclosed
US-20030229094-A1 Acetamides and benzamides that are useful in treating sexual dysfunction ABBOTT LABORATORIES 2003-12-11 US disclosed
EP-0630887-B1 4-(aryl-substituted)-piperidines as neurokinin receptor antagonists ZENECA LTD (GB) 1999-07-28 EP disclosed
EP-0897387-A1 NEW BENZAZEPINE DERIVATIVES, MEDICAMENTS CONTAINING THE SAME AND THEIR USE TO PREPARE MEDICAMENTS Sanochemia Ltd. (MT) 1999-02-24 EP disclosed
WO-1997040049-A1 NEW BENZAZEPINE DERIVATIVES, MEDICAMENTS CONTAINING THE SAME AND THEIR USE TO PREPARE MEDICAMENTS SANOCHEMIA LTD. (MT) 1997-10-30 WO disclosed
US-5654299-A TREATING RESPIRATORY SYSTEM DISORDER (I.E. ASTHMA) WITH NEUROKININ 2 RECEPTOR ANTAGONIST ZENECA LIMITED (GB) 1997-08-05 US disclosed
EP-0630887-A1 4-(aryl-substituted)-piperidines as neurokinin receptor antagonists ZENECA LIMITED (GB) 1994-12-28 EP 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-20030229094-A1 Acetamides and benzamides that are useful in treating sexual dysfunction CATSPER1, CYP19A1, PDE12 GRM5 1577/4885LNPEP 2350/4885GRIN2B 1913/4885
US-20040029887-A1 Acetamides and benzamides that are useful in treating sexual dysfunction CATSPER1, CYP19A1, PDE12 GRM5 1577/4885LNPEP 2350/4885GRIN2B 1913/4885
US-20060009461-A1 Acetamides and benzamides that are useful in treating sexual dysfunction PDE12, NAAA, CYP19A1 GRM5 1310/4885LNPEP 1548/4885GRIN2B 1907/4885
US-20030232836-A1 Acetamides and benzamides that are useful in treating sexual dysfunction CATSPER1, CYP19A1, PDE12 GRM5 1577/4885LNPEP 2350/4885GRIN2B 1913/4885

“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.