SCHEMBL1724839

SCHEMBL1724839

c1ccc2c(c1)CCC1CNCC21

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 11/20 0.49
HTR2C P28335 2/20 0.44
HTR2A P28223 1/20 0.43
HTR2B P41595 1/20 0.43
IDO1 P14902 2/20 0.42
PDPK1 O15530 1/20 0.42
SRD5A1 P18405 1/20 0.41

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
Hydrochloric Acid SCHEMBL1722276 0.98 SIGMAR1 (0.50) SIGMAR1HTR2CHTR2AHTR2BIDO1
SCHEMBL9307221 0.86 SIGMAR1 (0.50) SIGMAR1HTR2CHTR2AHTR2B
SCHEMBL10724594 0.86 HTR2A (0.49) SIGMAR1HTR2CHTR2AHTR2B
SCHEMBL9307226 0.86 SIGMAR1 (0.50) SIGMAR1HTR2CHTR2AHTR2B
SCHEMBL9307217 0.86 SIGMAR1 (0.50) SIGMAR1HTR2CHTR2AHTR2B
SCHEMBL1897659 0.81 HTR2C (0.59) SIGMAR1HTR2CHTR2AHTR2B
SCHEMBL9278829 0.81 HTR2C (0.59) SIGMAR1HTR2CHTR2AHTR2B
SCHEMBL28748526 0.80 PRCP (0.46) SIGMAR1HTR2CHTR2AHTR2BSRD5A1
SCHEMBL852627 0.79 MEN1 (0.53) HTR2CHTR2AHTR2B
Hydrochloric Acid SCHEMBL9672275 0.79 HTR2C (0.57) SIGMAR1HTR2CHTR2AHTR2B

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1773773-A4 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORP (US) 2009-07-29 EP claimed
EP-1773773-A1 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS Incyte Corporation (US) 2007-04-18 EP claimed
US-20060009491-A1 Amido compounds and their use as pharmaceuticals INCYTE CORPORATION 2006-01-12 US claimed
WO-2006002350-A1 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORPORATION (US) 2006-01-05 WO claimed
EP-0095666-B1 TETRAHYDRO-BENZO(E) ISOINDOLINES ABBOTT LABORATORIES (US) 1989-01-18 EP claimed
US-8729274-B2 Tricyclic heterocyclic derivatives MERCK SHARP & DOHME B.V. (NL) 2014-05-20 US disclosed
US-20120232122-A1 TRICYCLIC HETEROCYCLIC DERIVATIVES MERCK SHARP & DOHME B.V. (NL) 2012-09-13 US disclosed
EP-2406217-A1 TRICYCLIC HETEROCYCLIC DERIVATIVES MSD Oss B.V. (NL) 2012-01-18 EP disclosed
WO-2010103001-A1 TRICYCLIC HETEROCYCLIC DERIVATIVES N.V. ORGANON (NL) 2010-09-16 WO disclosed
EP-1773773-A4 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORP (US) 2009-07-29 EP disclosed
EP-1773773-A1 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS Incyte Corporation (US) 2007-04-18 EP disclosed
US-7101892-B2 Sulfone derivatives as 5-HT7 receptor ligands MERCK SHARP & DOHME LTD. 2006-09-05 US disclosed
EP-0891362-A1 PYRROLOPYRROLONE DERIVATIVES AS INHIBITORS OF NEUTROPHIL ELASTASE GLAXO GROUP LIMITED (GB) 1999-01-20 EP disclosed
EP-0808318-A1 TRICYCLIC SUBSTITUTED HEXAHYDROBENZ E]ISOINDOLE ALPHA-1 ADRENERGIC ANTAGONISTS Abbott Laboratories (US) 1997-11-26 EP disclosed
WO-1997036903-A1 PYRROLOPYRROLONE DERIVATIVES AS INHIBITORS OF NEUTROPHIL ELASTASE GLAXO GROUP LIMITED (GB) 1997-10-09 WO disclosed
WO-1996022992-A1 TRICYCLIC SUBSTITUTED HEXAHYDROBENZ[E]ISOINDOLE ALPHA-1 ADRENERGIC ANTAGONISTS ABBOTT LABORATORIES (US) 1996-08-01 WO disclosed
WO-1996022991-A1 BICYCLIC SUBSTITUTED HEXAHYDROBENZ[E]ISOINDOLE ALPHA-1- ADRENERGIC ANTAGONISTS ABBOTT LABORATORIES (US) 1996-08-01 WO disclosed
WO-1993008166-A1 BENZO-ISOQUINOLINE DERIVATIVES AND ANALOGS AND THEIR USE IN THERAPEUTICS THE UPJOHN COMPANY (US) 1993-04-29 WO disclosed
EP-0539209-A1 Benzo-isoquinoline derivatives and analogs and their use in therapeutics THE UPJOHN COMPANY (US) 1993-04-28 EP disclosed
EP-0095666-B1 TETRAHYDRO-BENZO(E) ISOINDOLINES ABBOTT LABORATORIES (US) 1989-01-18 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 (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-20120232122-A1 TRICYCLIC HETEROCYCLIC DERIVATIVES TPH1, HTR3C, TPH2 SIGMAR1 314/4885HTR2C 4/4885HTR2A 16/4885
US-20060009491-A1 Amido compounds and their use as pharmaceuticals HSD11B1, CYP11B1, HSD11B2 SIGMAR1 605/4885HTR2C 1567/4885HTR2A 1601/4885

“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.