SCHEMBL11118224

SCHEMBL11118224

CC1CNCCC1(C(=O)O)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.42
HTR2A P28223 1/20 0.40
AKR1C1 Q04828 1/20 0.40
CYP2D6 P10635 1/20 0.37
HDAC1 Q13547 1/20 0.37
SSTR4 P31391 1/20 0.37
MAOB P27338 1/20 0.36
HSD11B1 P28845 1/20 0.36
ALOX15 P16050 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
SCHEMBL21119266 1.00 OPRM1 (0.42) OPRM1HTR2AAKR1C1CYP2D6HDAC1
SCHEMBL14232738 0.91 OPRM1 (0.40) OPRM1HTR2AAKR1C1HDAC1SSTR4
SCHEMBL11119002 0.84 HSD11B1 (0.42) HSD11B1
SCHEMBL11094114 0.83 OPRM1 (0.60) OPRM1
SCHEMBL11120120 0.81 HTR2C (0.47) OPRM1
SCHEMBL8105095 0.78 AKR1C1 (0.46) OPRM1AKR1C1CYP2D6MAOBALOX15
SCHEMBL12020309 0.78 AKR1C1 (0.46) OPRM1AKR1C1CYP2D6MAOBALOX15
SCHEMBL8107068 0.78 AKR1C1 (0.46) OPRM1AKR1C1CYP2D6MAOBALOX15
SCHEMBL5437376 0.77 MAOB (0.47) AKR1C1CYP2D6MAOB
SCHEMBL11768776 0.77 OPRM1 (0.47) OPRM1HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160263093-A1 S1P modulating agents BIOGEN MA INC. 2016-09-15 US disclosed
EP-0034415-B1 1-(CYCLOHEXYL OR CYCLOHEXENYL)-4-ARYL-4-PIPERIDINECARBOXYLIC ACID DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 1984-05-30 EP disclosed
US-4369184-A ANTIHISTAMINES; HETEROCYCLIC NITRILES JANSSEN PHARMACEUTICA N.V. (BE) 1983-01-18 US disclosed
EP-0034415-A1 1-(Cyclohexyl or cyclohexenyl)-4-aryl-4-piperidinecarboxylic acid derivatives JANSSEN PHARMACEUTICA N.V. (BE) 1981-08-26 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-20160263093-A1 S1P modulating agents S1PR2, S1PR1, S1PR3 OPRM1 1054/4885HTR2A 355/4885AKR1C1 1919/4885

“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.