SCHEMBL317285

SCHEMBL317285

OC(CC1CCCCC1)c1cc[c]cc1

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
HIF1A Q16665 1/20 0.39
IDO1 P14902 14/20 0.39
TDO2 P48775 14/20 0.39

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
SCHEMBL317581 0.83 GRIN2B (0.39)
SCHEMBL1520497 0.81 CYP1A2 (0.57) CYP1A2CYP2D6HIF1AIDO1TDO2
SCHEMBL7496186 0.79 CYP1A2 (0.59) CYP1A2CYP2D6HIF1A
SCHEMBL10021113 0.79 METAP2 (0.47) CYP1A2CYP2D6HIF1AIDO1TDO2
SCHEMBL13275902 0.79 IDO1 (0.45) CYP1A2CYP2D6HIF1AIDO1TDO2
SCHEMBL13232182 0.79 EPHX1 (0.49) CYP1A2CYP2D6HIF1AIDO1TDO2
SCHEMBL10633563 0.79 SLC6A2 (0.54) IDO1TDO2
SCHEMBL18660426 0.79 NFE2L2 (0.44) CYP1A2CYP2D6HIF1AIDO1TDO2
SCHEMBL317788 0.76 DHODH (0.50) CYP1A2CYP2D6HIF1AIDO1
SCHEMBL30958959 0.75 MGLL (0.40)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9365485-B2 Substituted arylcyclopentenes as therapeutic agents ALLERGAN, INC. (US) 2016-06-14 US claimed
US-20140323510-A1 SUBSTITUTED ARYLCYCLOPENTENES AS THERAPEUTIC AGENTS ALLERGAN, INC. (US) 2014-10-30 US claimed
US-8722726-B2 Substituted arylcyclopentenes as therapeutic agents ALLERGAN, INC. (US) 2014-05-13 US claimed
EP-2118094-B1 GAMMA-LACTAMS FOR THE TREATMENT OF GLAUCOMA OR ELEVATED INTRAOCULAR PRESSURE ALLERGAN INC (US) 2013-04-17 EP claimed
EP-2257548-B1 THERAPEUTIC COMPOUNDS ALLERGAN INC (US) 2012-12-26 EP claimed
US-7956051-B2 Therapeutic amides and related compounds ALLERGAN, INC. (US) 2011-06-07 US claimed
EP-2247583-A1 HYDRAZINES IN GLAUCOMA THERAPY ALLERGAN, INC. (US) 2010-11-10 EP claimed
US-20100137347-A1 SUBSTITUTED ARYLCYCLOPENTENES AS THERAPEUTIC AGENTS ALLERGAN, INC. (US) 2010-06-03 US claimed
WO-2009094286-A1 HYDRAZINES IN GLAUCOMA THERAPY ALLERGAN, INC. (US) 2009-07-30 WO claimed
US-20090192151-A1 THERAPEUTIC AMIDES AND RELATED COMPOUNDS ALLERGAN, INC. 2009-07-30 US claimed
EP-0877732-A1 SULFONATE DERIVATIZED PERFUMES THE PROCTER & GAMBLE COMPANY (US) 1998-11-18 EP claimed
WO-1997022580-A1 SULFONATE DERIVATIZED PERFUMES THE PROCTER & GAMBLE COMPANY (US) 1997-06-26 WO claimed
US-9796696-B2 Substituted arylcyclopentenes as therapeutic agents ALLERGAN, INC. (US) 2017-10-24 US disclosed
EP-2027081-B1 THERAPEUTIC PROSTAGLANDIN COMPOUNDS FOR THE TREATMENT OF GLAUCOMA ALLERGAN INC (US) 2017-05-03 EP disclosed
EP-2285775-B1 Lactams and their use in the treatment of inter alia ocular hypertension or baldness ALLERGAN INC (US) 2017-03-22 EP disclosed
US-20170057941-A1 SUBSTITUTED ARYLCYCLOPENTENES AS THERAPEUTIC AGENTS ALLERGAN, INC. 2017-03-02 US disclosed
US-20070259929-A1 Therapeutic Compounds ALLERGAN, INC. 2007-11-08 US disclosed
US-20070259947-A1 THERAPEUTIC COMPOUNDS ALLERGAN, INC. 2007-11-08 US disclosed
US-20070259836-A1 THERAPEUTIC CYCLOPENTANE DERIVATIVES ALLERGAN, INC. 2007-11-08 US disclosed
WO-2007115020-A2 THERAPEUTIC PROSTAGLANDIN COMPOUNDS FOR THE TREATMENT OF GLAUCOMA ALLERGAN, INC. (US) 2007-10-11 WO 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 (7 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-20070259836-A1 THERAPEUTIC CYCLOPENTANE DERIVATIVES PTGIS, PTGIR, CYP11B2 CYP1A2 669/4885CYP2D6 1332/4885HIF1A 111/4885
US-20140323510-A1 SUBSTITUTED ARYLCYCLOPENTENES AS THERAPEUTIC AGENTS ABCB1, THPO, UGT2B7 CYP1A2 82/4885CYP2D6 18/4885HIF1A 1883/4885
US-20070259929-A1 Therapeutic Compounds PIGO, CYC1, COXFA4L2 CYP1A2 2132/4885CYP2D6 1932/4885HIF1A 352/4885
US-20070259947-A1 THERAPEUTIC COMPOUNDS GOT2, ANXA5, MMP8 CYP1A2 2263/4885CYP2D6 1187/4885HIF1A 1153/4885
US-20170057941-A1 SUBSTITUTED ARYLCYCLOPENTENES AS THERAPEUTIC AGENTS ABCB1, THPO, UGT2B7 CYP1A2 82/4885CYP2D6 18/4885HIF1A 1883/4885
US-20090192151-A1 THERAPEUTIC AMIDES AND RELATED COMPOUNDS VIP, SHH, GLI1 CYP1A2 656/4885CYP2D6 2971/4885HIF1A 693/4885
US-20100137347-A1 SUBSTITUTED ARYLCYCLOPENTENES AS THERAPEUTIC AGENTS ABCB1, THPO, UGT2B7 CYP1A2 56/4885CYP2D6 12/4885HIF1A 1423/4885

“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.