SCHEMBL4856768

SCHEMBL4856768

O=S1(=O)Nc2cccc3c2N1CCC3

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA4 P22748 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
HTR3A P46098 1/20 0.41
HTR2C P28335 3/20 0.40
CES1 P23141 2/20 0.40
ALOX12 P18054 1/20 0.39
ALDH1A1 P00352 2/20 0.37
GAA P10253 1/20 0.37
HTR2B P41595 1/20 0.36
OPRL1 P41146 3/20 0.35
MAPT P10636 1/20 0.34
HTR1A P08908 1/20 0.34
DRD2 P14416 1/20 0.34
HTR2A P28223 1/20 0.34
HTR7 P34969 1/20 0.34
HTR6 P50406 1/20 0.34

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
SCHEMBL7787263 0.74 BRD4 (0.39) CA12CA1CA2CA4CA7
SCHEMBL9278725 0.70 CA12 (0.37) CA12CA1CA2CA4CA7
SCHEMBL6906414 0.67 CA12 (0.43) CA12CA1CA2CA4CA7
SCHEMBL4850144 0.67 HTR2A (0.47) HTR2CCES1ALOX12ALDH1A1MAPT
SCHEMBL3975448 0.65 HTR3A (0.36) HTR3APTPN1
SCHEMBL14281829 0.65 HTR2C (0.50) HTR2CCES1ALOX12ALDH1A1GAA
SCHEMBL60540 0.64 HTR2C (0.69) HTR2CCES1ALOX12ALDH1A1GAA
SCHEMBL4858847 0.63 HTR2C (0.41) CA12CA1CA2CA4CA7
Bromide SCHEMBL8863742 0.63 HTR2C (0.67) HTR2CCES1ALOX12ALDH1A1GAA
SCHEMBL18602449 0.62 ALDH1A1 (0.46) CA12CA1CA2CA4CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0433149-B1 Serotonin antagonists, their preparation and pharmaceuticals containing them RHONE POULENC SANTE (FR) 1994-02-16 EP claimed
US-7462628-B2 Preventives/remedies for urinary disturbance TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-12-09 US disclosed
US-7138533-B2 Preventives/remedies for urinary disturbance TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-11-21 US disclosed
US-7132547-B2 Preventives/remedies for urinary disturbance TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-11-07 US disclosed
US-20060211675-A1 Preventives/remedies for urinary disturbance ISHIHARA YUJI 2006-09-21 US disclosed
US-20060063769-A1 Preventives/remedies for urinary disturbance TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-03-23 US disclosed
US-20050197362-A1 Preventives/remedies for urinary disturbance TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-09-08 US disclosed
EP-1466625-A1 PREVENTIVES/REMEDIES FOR URINARY DISTURBANCE Takeda Chemical Industries, Ltd. (JP) 2004-10-13 EP disclosed
EP-1089999-A4 (HETEROCYCLIC) METHYL SUBSTITUTED CARBAPENEM ANTIBACTERIALS MERCK & CO INC (US) 2002-12-04 EP disclosed
US-20010053783-A1 Central nervous system disorders FAIRHURST JOHN (GB) 2001-12-20 US disclosed
US-6291448-B1 CARBAPENEM NUCLEUS IS SUBSTITUTED AT THE 2-POSITION WITH FUSED BI- AND TRICYCLIC 2,2-DIOXO-3-X-2-THIA-1-AZA-CYCLOPENTA RING SYSTEMS LINKED THROUGH A CH2 GROUP. MERCK & CO., INC. 2001-09-18 US disclosed
EP-1089999-A1 (HETEROCYCLIC) METHYL SUBSTITUTED CARBAPENEM ANTIBACTERIALS Merck & Co., Inc. (US) 2001-04-11 EP disclosed
EP-0854146-B1 Substituted 4-(6-fluoro-[1H]-indol-3-yl)-1,2,3,6-tetrahydropyridine for the treatment of CNS-disorders LILLY CO ELI (GB) 2000-03-15 EP disclosed
WO-1999067241-A1 (HETEROCYCLIC) METHYL SUBSTITUTED CARBAPENEM ANTIBACTERIALS MERCK & CO., INC. (US) 1999-12-29 WO disclosed
EP-0854146-A1 Substituted 4-(6-fluoro-[1H]-indol-3-yl)-1,2,3,6-tetrahydropyridine for the treatment of CNS-disorders ELI LILLY AND COMPANY LIMITED (GB) 1998-07-22 EP disclosed
EP-0636124-A1 3,4-DIHYDRO-2H-1,2,4-BENZOTHIADIAZINE-1,1-DIOXIDE-3-CARBOXYLIC ACID DERIVATIVES, PREPARATION THEREOF AND DRUGS CONTAINING SAME Aventis Pharma S.A. (FR) 1995-02-01 EP disclosed
WO-1993021170-A1 3,4-DIHYDRO-2H-1,2,4-BENZOTHIADIAZINE-1,1-DIOXIDE-3-CARBOXYLIC ACID DERIVATIVES, PREPARATION THEREOF AND DRUGS CONTAINING SAME RHONE-POULENC RORER S.A. (FR) 1993-10-28 WO disclosed
US-5130313-A Central nervous system disorders, cardiovascular disorders or gastrointestinal disorders RHONE-POULENC SANTE (FR) 1992-07-14 US disclosed
US-5114949-A Treating disorders associated with 5HT uptake RHONE-POULENC SANTE (FR) 1992-05-19 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 (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-20060063769-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, CHRM1 CA12 2040/4885CA1 722/4885CA2 397/4885
US-20050197362-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, CHRM1 CA12 2040/4885CA1 722/4885CA2 397/4885
US-20060211675-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, ACE CA12 1238/4885CA1 665/4885CA2 400/4885
US-20010053783-A1 Central nervous system disorders CNR1, PMP22, CNR2 CA12 962/4885CA1 451/4885CA2 699/4885

“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.