SCHEMBL4670974

SCHEMBL4670974

c1ccc2sc(C3CC[N]CC3)cc2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 6/20 0.54
DRD2 P14416 1/20 0.54
ALOX5 P09917 1/20 0.48
CHRM2 P08172 2/20 0.42
CHRM4 P08173 2/20 0.42
CHRM5 P08912 2/20 0.42
CHRM1 P11229 2/20 0.42
CHRM3 P20309 2/20 0.42
SLC6A3 Q01959 4/20 0.41
SLC6A2 P23975 2/20 0.41
CYP2A6 P11509 3/20 0.38
ASIC3 Q9UHC3 1/20 0.38
LOXL2 Q9Y4K0 1/20 0.38
MGLL Q99685 1/20 0.38
TMIGD3 P0DMS9 1/20 0.37
ADORA2A P29274 1/20 0.37
ADORA1 P30542 1/20 0.37
BCL2L1 Q07817 1/20 0.37
SIGMAR1 Q99720 3/20 0.37
CA2 P00918 1/20 0.36

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
SCHEMBL31172103 0.87 SLC6A4 (0.61) SLC6A4DRD2ALOX5CHRM2CHRM4
SCHEMBL28359596 0.87 SLC6A4 (0.61) SLC6A4DRD2ALOX5CHRM2CHRM4
SCHEMBL2708963 0.79 SLC6A4 (0.54) SLC6A4DRD2ALOX5CHRM2CHRM4
SCHEMBL7811779 0.79 SLC6A4 (0.47) SLC6A4DRD2ALOX5CHRM2CHRM4
SCHEMBL4147085 0.77 SLC6A4 (0.52) SLC6A4DRD2ALOX5CHRM2CHRM4
SCHEMBL11875197 0.76 SLC6A4 (0.71) SLC6A4DRD2ALOX5CHRM2CHRM4
Hydrochloric Acid SCHEMBL8006651 0.75 SLC6A4 (0.50) SLC6A4DRD2ALOX5CHRM2CHRM4
SCHEMBL7462997 0.75 ALOX5 (0.51) SLC6A4DRD2ALOX5CHRM2CHRM4
SCHEMBL7462994 0.75 ALOX5 (0.51) SLC6A4DRD2ALOX5CHRM2CHRM4
SCHEMBL31412580 0.75 SLC6A4 (0.50) SLC6A4DRD2ALOX5CHRM2CHRM4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0958287-B2 SULFAMIDE-METALLOPROTEASE INHIBITORS HOFFMANN LA ROCHE (CH) 2008-04-09 EP disclosed
US-7196199-B2 Antiserotonine agents; antidepressants MITSUBISHI PHARMA CORPORATION (JP) 2007-03-27 US disclosed
EP-1188747-B1 PHENOXYPROPYLAMINE COMPOUNDS MITSUBISHI PHARMA CORP (JP) 2005-09-07 EP disclosed
US-20040138227-A1 Phenoxypropylamine compounds NISHIYAMA AKIRA 2004-07-15 US disclosed
US-6720320-B2 ANTISEROTONINE AGENTS MITSUBISHI PHARMA CORPORATION (JP) 2004-04-13 US disclosed
EP-0958287-B1 SULFAMIDE-METALLOPROTEASE INHIBITORS HOFFMANN LA ROCHE (CH) 2002-09-11 EP disclosed
US-20020111358-A1 Phenoxypropylamine compounds MITSUBISHI PHARMA CORPORATION (JP) 2002-08-15 US disclosed
US-6376506-B1 REACTING SULFAMOYL OXAZOLIDONE WITH (1,2,3,4)-TETRAHYDRO-BETA-CARBOLINE TO FORM INHIBITOR; USED TO TREAT ARTHRITIS, OSTEOPOROSIS, PERIODONTAL DISEASE, CARDIOVASCULAR DISEASES, MULTIPLE SCLEROSIS, AND TUMORS SYNTEX (U.S.A.) LLC 2002-04-23 US disclosed
EP-1188747-A1 PHENOXYPROPYLAMINE COMPOUNDS Mitsubishi Pharma Corporation (JP) 2002-03-20 EP disclosed
US-6348457-B1 ANTAGONIZING RESERPINE IN MAMMALS JANSSEN PHARMACEUTICA N.V. (BE) 2002-02-19 US disclosed
EP-0672043-B1 NOVEL 4-(3-BENZOFURANYL)PIPERIDINYL AND 4-(3-BENZOTHIENYL)PIPERIDINYL DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM JANSSEN PHARMACEUTICA NV (BE) 2001-05-30 EP disclosed
EP-0672043-A1 NOVEL 4-(3-BENZOFURANYL)PIPERIDINYL AND 4-(3-BENZOTHIENYL)PIPERIDINYL DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM JANSSEN PHARMACEUTICA N.V. (BE) 1995-09-20 EP disclosed
US-5284854-A Antiserotonin. antihistamine agents; for sleep disorders JANSSEN PHARMACEUTICA N.V. (BE) 1994-02-08 US disclosed
WO-1994001437-A1 NOVEL 4-(3-BENZOFURANYL)PIPERIDINYL AND 4-(3-BENZOTHIENYL)PIPERIDINYL DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM JANSSEN PHARMACEUTICA N.V. (BE) 1994-01-20 WO disclosed
US-5256659-A Antiserotonine agents, antihistamines for nervous system disorders or psychological disorders JANSSEN PHARMACEUTICA N.V. (BE) 1993-10-26 US disclosed
US-5140029-A Administering for nervous system, sleep or psychotic disorders JANSSEN PHARMACEUTICA N.V. (BE) 1992-08-18 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-20040138227-A1 Phenoxypropylamine compounds HTR1A, HTR1D, HTR5A SLC6A4 10/4885DRD2 62/4885ALOX5 2919/4885
US-20020111358-A1 Phenoxypropylamine compounds HTR1A, HTR1D, HTR5A SLC6A4 10/4885DRD2 62/4885ALOX5 2919/4885

“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.