SCHEMBL4010484

SCHEMBL4010484

O=C(OCc1ccccc1)N1CCC(O)(c2ccccn2)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 6/20 0.54
OPRK1 P41145 3/20 0.53
OPRD1 P41143 2/20 0.53
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
SMN1; SMN2 Q16637 3/20 0.51
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
OPRM1 P35372 1/20 0.50
OPRL1 P41146 1/20 0.50
GRM5 P41594 1/20 0.49
CYP2C19 P33261 1/20 0.49
HDAC3 O15379 2/20 0.48
HDAC1 Q13547 2/20 0.48
HDAC2 Q92769 2/20 0.48
HDAC6 Q9UBN7 2/20 0.48
KDM1A O60341 2/20 0.48
ENPP2 Q13822 1/20 0.47
ATXN2 Q99700 1/20 0.47

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
SCHEMBL6213261 0.93 GRIN2B (0.48) GRIN2BOPRK1OPRD1MEN1KMT2A
SCHEMBL30936188 0.86 GRIN2B (0.47) GRIN2BOPRK1OPRD1MEN1KMT2A
SCHEMBL2266081 0.85 HDAC3 (0.50) GRIN2BOPRK1OPRD1MEN1KMT2A
SCHEMBL8315488 0.84 GRIN2B (0.50) GRIN2BOPRK1OPRD1MEN1KMT2A
SCHEMBL23121088 0.82 OPRD1 (0.51) GRIN2BOPRK1OPRD1MEN1KMT2A
SCHEMBL16820272 0.82 MEN1 (0.49) GRIN2BOPRK1OPRD1MEN1KMT2A
SCHEMBL7556949 0.82 CHRM4 (0.61) GRIN2BOPRK1OPRD1MEN1KMT2A
SCHEMBL566838 0.80 MEN1 (0.61) GRIN2BOPRK1OPRD1MEN1KMT2A
SCHEMBL16992546 0.80 OPRM1 (0.61) GRIN2BOPRK1OPRD1MEN1KMT2A
SCHEMBL29862593 0.79 OPRK1 (0.46) GRIN2BOPRK1OPRD1MEN1KMT2A

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 23 patents — showing the first 20. 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-7351828-B2 Benzimidazoles that are useful in treating sexual dysfunction ABBOTT LABORATORIES (US) 2008-04-01 US disclosed
EP-1373220-B1 BENZIMIDAZOLES THAT ARE USEFUL IN TREATING SEXUAL DYSFUNCTION ABBOTT LAB (US) 2007-05-30 EP disclosed
US-7022728-B2 Benzimidazoles that are useful in treating male sexual dysfunction ABBOTT LABORATORIES (US) 2006-04-04 US disclosed
US-20060009461-A1 Acetamides and benzamides that are useful in treating sexual dysfunction BHATIA PRAMILA A 2006-01-12 US disclosed
US-6960589-B2 Benzimidazoles that are useful in treating sexual dysfunction ABBOTT LABORATORIES (US) 2005-11-01 US disclosed
EP-1483258-A1 BENZIMIDAZOLE-DERIVATIVES FOR THE TREATMENT OF SEXUAL DYSFUNCTION Abbott Laboratories (US) 2004-12-08 EP disclosed
US-20040127504-A1 Benzimidazoles that are useful in treating sexual dysfunction ABBOTT LABORATORIES 2004-07-01 US disclosed
US-20040110766-A1 Benzimidazoles that are useful in treating sexual dysfunction ABBVIE INC. 2004-06-10 US disclosed
US-20040029887-A1 Acetamides and benzamides that are useful in treating sexual dysfunction ABBOTT LABORATORIES 2004-02-12 US disclosed
WO-2003076431-A1 BENZIMIDAZOLE-DERIVATIVES FOR THE TREATMENT OF SEXUAL DYSFUNCTION ABBOTT LABORATORIES (US) 2003-09-18 WO disclosed
US-20030162790-A1 Benzimidazoles that are useful in treating sexual dysfunction ABBVIE INC. 2003-08-28 US disclosed
US-20030008878-A1 Benzimidazoles that are useful in treating sexual dysfunction ABOTT LABORATORIES 2003-01-09 US disclosed
US-20020169166-A1 Benzimidazoles that are useful in treating sexual dysfunction ABBOTT LABORATORIES 2002-11-14 US disclosed
US-20020169167-A1 Benzimidazoles that are useful in treating sexual dysfunction ABBVIE INC. 2002-11-14 US disclosed
WO-2002088093-A1 BENZIMIDAZOLES THAT ARE USEFUL IN TREATING SEXUAL DYSFUNCTION ABBOTT LABORATORIES (US) 2002-11-07 WO disclosed
CN-1061977-C Aryl substituted heterocycles ZENECA LTD (GB) 2001-02-14 CN disclosed
EP-0630887-B1 4-(aryl-substituted)-piperidines as neurokinin receptor antagonists ZENECA LTD (GB) 1999-07-28 EP 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 (8 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-20040029887-A1 Acetamides and benzamides that are useful in treating sexual dysfunction CATSPER1, CYP19A1, PDE12 GRIN2B 1913/4885OPRK1 1724/4885OPRD1 422/4885
US-20020169167-A1 Benzimidazoles that are useful in treating sexual dysfunction CYP19A1, CYP51A1, CYP17A1 GRIN2B 2694/4885OPRK1 964/4885OPRD1 372/4885
US-20040127504-A1 Benzimidazoles that are useful in treating sexual dysfunction CYP19A1, CYP51A1, CYP17A1 GRIN2B 2694/4885OPRK1 964/4885OPRD1 372/4885
US-20060009461-A1 Acetamides and benzamides that are useful in treating sexual dysfunction PDE12, NAAA, CYP19A1 GRIN2B 1907/4885OPRK1 1973/4885OPRD1 539/4885
US-20030008878-A1 Benzimidazoles that are useful in treating sexual dysfunction CYP19A1, CYP51A1, CYP17A1 GRIN2B 2694/4885OPRK1 964/4885OPRD1 372/4885
US-20020169166-A1 Benzimidazoles that are useful in treating sexual dysfunction CYP19A1, CYP51A1, CYP17A1 GRIN2B 2694/4885OPRK1 964/4885OPRD1 372/4885
US-20030162790-A1 Benzimidazoles that are useful in treating sexual dysfunction CYP19A1, CYP51A1, CYP17A1 GRIN2B 2694/4885OPRK1 964/4885OPRD1 372/4885
US-20040110766-A1 Benzimidazoles that are useful in treating sexual dysfunction CYP19A1, CYP51A1, CYP17A1 GRIN2B 2694/4885OPRK1 964/4885OPRD1 372/4885

“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.