SCHEMBL833464

SCHEMBL833464

O=CCC1Cc2ccccc2C1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.42
CYP19A1 P11511 2/20 0.42
ADRA2A P08913 1/20 0.38
SIGMAR1 Q99720 2/20 0.36
PREP P48147 2/20 0.36
ANPEP P15144 1/20 0.35
DRD3 P35462 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35

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
SCHEMBL6960074 0.86 CYP19A1 (0.50) CYP19A1SIGMAR1PREP
Ethoxycarbonyl Group SCHEMBL27711869 0.84 IDO1 (0.37) IDO1CYP19A1SIGMAR1DRD3
SCHEMBL15518911 0.83 SIGMAR1 (0.50) CYP19A1SIGMAR1
SCHEMBL15518912 0.83 SIGMAR1 (0.50) CYP19A1SIGMAR1
SCHEMBL23856663 0.78 PSEN1 (0.35) CYP19A1ADRA2A
SCHEMBL30047320 0.78 PSEN1 (0.35) CYP19A1ADRA2A
SCHEMBL21142686 0.78 DRD2 (0.38) CYP19A1DRD3
SCHEMBL19852197 0.77 CYP19A1 (0.40) CYP19A1SIGMAR1
SCHEMBL10609048 0.77 ACHE (0.39) CYP19A1
SCHEMBL9247844 0.77 PNMT (0.42) ADRA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3749650-A1 NON-FUSED THIOPHENE DERIVATIVES AND THEIR USES ENYO Pharma (FR) 2020-12-16 EP disclosed
WO-2019154956-A1 NON-FUSED THIOPHENE DERIVATIVES AND THEIR USES ENYO PHARMA (FR) 2019-08-15 WO disclosed
US-8143304-B2 (3-amino-1,2,3,4-tetrahydro-9 H-carbazol-9-yl)-acetic acid derivatives ACTELION PHARMACEUTICAL LTD. (CH) 2012-03-27 US disclosed
US-8071635-B2 Minimal cardivascular and/or sedatory activity; treating pain and allodynia; selective to alpha2B and/or alpha2C adrenergic receptors in preference over alpha2A adrenergic receptors; ALLERGAN, INC. (US) 2011-12-06 US disclosed
US-8071635-B2 Minimal cardivascular and/or sedatory activity; treating pain and allodynia; selective to alpha2B and/or alpha2C adrenergic receptors in preference over alpha2A adrenergic receptors; ALLERGAN, INC. (US) 2011-12-06 US disclosed
US-8071635-B2 Minimal cardivascular and/or sedatory activity; treating pain and allodynia; selective to alpha2B and/or alpha2C adrenergic receptors in preference over alpha2A adrenergic receptors; ALLERGAN, INC. (US) 2011-12-06 US disclosed
US-8063086-B2 Modulators of alpha2B and/or alpha2C adrenergic receptors; alleviate chronic pain, allodynia, muscle spasticity, diarrhea, neuropathic pain; 4-(substituted cycloalkylmethyl)imidazole-2-thione and 4-(substituted cycloalkenylmethyl)imidazole-2-thione compounds ALLERGAN, INC. (US) 2011-11-22 US disclosed
US-8063087-B2 4-(substituted cycloalkylmethyl) imidazole-2-thiones, 4-(substituted cycloalkenylmethyl) imidazole-2-thiones, 4-(substituted cycloalkylmethyl) imidazole-2-ones and, 4-(substituted cycloalkylmethyl) imidazole-2-ones and related compounds ALLERGAN, INC. (US) 2011-11-22 US disclosed
US-8063087-B2 4-(substituted cycloalkylmethyl) imidazole-2-thiones, 4-(substituted cycloalkenylmethyl) imidazole-2-thiones, 4-(substituted cycloalkylmethyl) imidazole-2-ones and, 4-(substituted cycloalkylmethyl) imidazole-2-ones and related compounds ALLERGAN, INC. (US) 2011-11-22 US disclosed
US-8063087-B2 4-(substituted cycloalkylmethyl) imidazole-2-thiones, 4-(substituted cycloalkenylmethyl) imidazole-2-thiones, 4-(substituted cycloalkylmethyl) imidazole-2-ones and, 4-(substituted cycloalkylmethyl) imidazole-2-ones and related compounds ALLERGAN, INC. (US) 2011-11-22 US disclosed
US-20040220402-A1 4-(substituted cycloalkylmethyl) imidazole-2-thiones, 4-(substituted cycloalkenylmethyl) imidazole-2-thiones, 4-(substituted cycloalkylmethyl) imidazol-2-ones and 4-(substituted cycloalkenylmethyl) imidazol-2-ones and related compounds ALLERGAN, INC. 2004-11-04 US disclosed
WO-2003099795-A1 4-SUBSTITUTED IMIDAZOLE-2-THIONES AND IMIDAZOL-2-ONES AS AGONISTS OF THE ALPHA-2B AND ALPHA-2C ADRENERGIC RECEPTORS ALLERGAN, INC. (US) 2003-12-04 WO disclosed
EP-0661273-B1 Indane derivatives and processes for preparing the same TANABE SEIYAKU CO (JP) 1999-05-19 EP disclosed
US-5750524-A ADMINISTERING AN SULFAMIDE SUBSTITUTED INDAN DERIVATIVE ZERIA PHARMACEUTICAL CO., LTD. (JP) 1998-05-12 US disclosed
US-5686452-A PROTECTING FROM ENDOTOXIN SHOCK; TREATMENT OF NEPHRITIS TANABE SEIYAKU CO., LTD. (JP) 1997-11-11 US disclosed
EP-0773019-A1 HYPERLIPEMIA REMEDY ZERIA PHARMACEUTICAL CO., LTD. (JP) 1997-05-14 EP disclosed
EP-0589037-B1 INDIAN DERIVATIVE AND THROMBOXANE ANTAGONIST CONTAINING THE SAME ZERIA PHARM CO LTD (JP) 1996-05-29 EP disclosed
EP-0661273-A1 Indane derivative and processes for preparing the same TANABE SEIYAKU CO., LTD. (JP) 1995-07-05 EP disclosed
US-5409956-A A sulfonylaminoalkylindan carboxylic acid or ester for treating thrombosis, vasospasm or asthma ZERIA PHARMACEUTICAL CO., LTD. (JP) 1995-04-25 US disclosed
EP-0589037-A1 INDIAN DERIVATIVE AND THROMBOXANE ANTAGONIST CONTAINING THE SAME ZERIA PHARMACEUTICAL CO., LTD. (JP) 1994-03-30 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 (1 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-20040220402-A1 4-(substituted cycloalkylmethyl) imidazole-2-thiones, 4-(substituted cycloalkenylmethyl) imidazole-2-thiones, 4-(substituted cycloalkylmethyl) imidazol-2-ones and 4-(substituted cycloalkenylmethyl) imidazol-2-ones and related compounds ADRB2, ADRA2C, ADRB1 IDO1 1017/4885CYP19A1 1722/4885ADRA2A 5/4885

“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.