SCHEMBL3638449

SCHEMBL3638449

C=CCCc1cccc(CCl)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.39
OPRM1 P35372 4/20 0.38
OPRD1 P41143 4/20 0.38
OPRK1 P41145 4/20 0.38
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
TAAR1 Q96RJ0 3/20 0.34
GRIN2D O15399 1/20 0.33
GRIN3B O60391 1/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2A Q12879 1/20 0.33
GRIN2B Q13224 1/20 0.33
GRIN2C Q14957 1/20 0.33
GRIN3A Q8TCU5 1/20 0.33
CYP2D6 P10635 1/20 0.32
NOS3 P29474 1/20 0.32
NOS1 P29475 1/20 0.32
NOS2 P35228 1/20 0.32
LMNA P02545 1/20 0.32
MAOA P21397 2/20 0.31

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
SCHEMBL9311601 0.80 TSHR (0.48) TSHRMEN1KMT2ATAAR1CYP2D6
SCHEMBL9131495 0.80 TAAR1 (0.57) TAAR1
SCHEMBL3642896 0.80 DAO (0.42) TSHROPRM1OPRD1OPRK1MEN1
SCHEMBL12802177 0.80 CNR1 (0.38) TSHROPRM1OPRD1OPRK1MEN1
SCHEMBL12802016 0.80 TP53 (0.39) OPRM1OPRD1OPRK1MEN1KMT2A
SCHEMBL20819294 0.80 PNMT (0.45) OPRM1OPRD1OPRK1TAAR1GRIN2D
SCHEMBL29467220 0.79 XDH (0.45) TSHRMEN1KMT2AGRIN2DGRIN3B
SCHEMBL4878808 0.79 XDH (0.45) TSHRMEN1KMT2AGRIN2DGRIN3B
SCHEMBL9004499 0.79 CA1 (0.35) TSHRTAAR1
SCHEMBL7855100 0.78 OPRM1 (0.37) OPRM1OPRD1OPRK1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9765065-B2 Therapeutic substituted cyclopentanes ALLERGAN, INC. (US) 2017-09-19 US disclosed
US-20170144999-A1 THERAPEUTIC SUBSTITUTED CYCLOPENTANES ALLERGAN, INC. 2017-05-25 US disclosed
US-9591935-B2 Therapeutic substituted cyclopentanes ALLERGEN, INC. (US) 2017-03-14 US disclosed
EP-2170345-B1 THERAPEUTIC SUBSTITUTED CYCLOPENTANES FOR REDUCING INTRAOCULAR PRESSURE ALLERGAN INC (US) 2013-03-06 EP disclosed
US-20110062165-A1 BALANCED INDIVIDUAL DINING PLATE ALLERGAN INC 2011-03-17 US disclosed
EP-2170345-A1 THERAPEUTIC SUBSTITUTED CYCLOPENTANES FOR REDUCING INTRAOCULAR PRESSURE Allergan, Inc. (US) 2010-04-07 EP disclosed
WO-2009006370-A1 THERAPEUTIC SUBSTITUTED CYCLOPENTANES FOR REDUCING INTRAOCULAR PRESSURE ALLERGAN, INC. (US) 2009-01-08 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 (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-20170144999-A1 THERAPEUTIC SUBSTITUTED CYCLOPENTANES CYP11B2, CYP11B1, HMGCR TSHR 893/4885OPRM1 267/4885OPRD1 422/4885

“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.