SCHEMBL613410

SCHEMBL613410

OC1(c2ccc(Cl)cc2)CCC2(CC1)OCCO2

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.55
POLB P06746 2/20 0.44
CCR3 P51677 1/20 0.44
ALDH1A1 P00352 3/20 0.43
GAA P10253 2/20 0.43
OPRL1 P41146 3/20 0.43
OPRM1 P35372 2/20 0.43
OPRD1 P41143 1/20 0.43
OPRK1 P41145 1/20 0.43
SLC18A3 Q16572 1/20 0.42
DRD4 P21917 1/20 0.41
DRD3 P35462 1/20 0.41
SLC6A4 P31645 2/20 0.40
SLC6A3 Q01959 2/20 0.40
KMT2A Q03164 2/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CREBBP Q92793 1/20 0.40

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
SCHEMBL14403245 0.90 DRD2 (0.39) DRD2POLBALDH1A1GAAOPRL1
SCHEMBL9181836 0.85 DRD2 (0.47) DRD2POLBCCR3ALDH1A1GAA
SCHEMBL29090112 0.84 DRD2 (0.72) DRD2CCR3OPRL1OPRM1OPRD1
SCHEMBL613489 0.81 OPRM1 (0.50) ALDH1A1OPRL1OPRM1OPRD1OPRK1
SCHEMBL742824 0.81 DRD2 (0.37) DRD2ALDH1A1OPRL1OPRM1OPRK1
SCHEMBL612754 0.81 OPRM1 (0.43) DRD2OPRL1OPRM1OPRD1OPRK1
SCHEMBL2385636 0.81 OPRM1 (0.43) DRD2OPRL1OPRM1OPRD1OPRK1
SCHEMBL612712 0.81 OPRL1 (0.52) POLBALDH1A1GAAOPRL1OPRM1
SCHEMBL12208679 0.79 SLC6A4 (0.33) DRD2OPRL1OPRM1OPRK1SLC6A4
SCHEMBL20010952 0.79 OPRL1 (0.42) DRD2POLBALDH1A1GAAOPRL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012153162-A1 NOVEL METHOD FOR PREPARATION OF ATOVAQUONE LUPIN LIMITED (IN) 2012-11-15 WO claimed
EP-2419419-B1 4-AZETIDINYL-1-PHENYL-CYCLOHEXANE ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTICA NV (BE) 2014-12-03 EP disclosed
EP-2419419-B1 4-AZETIDINYL-1-PHENYL-CYCLOHEXANE ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTICA NV (BE) 2014-12-03 EP disclosed
US-8513229-B2 4-Azetidinyl-1-phenyl-cyclohexane antagonists of CCR2 JANSSEN PHARMACEUTICA NV (BE) 2013-08-20 US disclosed
US-8513229-B2 4-Azetidinyl-1-phenyl-cyclohexane antagonists of CCR2 JANSSEN PHARMACEUTICA NV (BE) 2013-08-20 US disclosed
US-8513229-B2 4-Azetidinyl-1-phenyl-cyclohexane antagonists of CCR2 JANSSEN PHARMACEUTICA NV (BE) 2013-08-20 US disclosed
WO-2012153162-A1 NOVEL METHOD FOR PREPARATION OF ATOVAQUONE LUPIN LIMITED (IN) 2012-11-15 WO disclosed
WO-2012153162-A1 NOVEL METHOD FOR PREPARATION OF ATOVAQUONE LUPIN LIMITED (IN) 2012-11-15 WO disclosed
EP-2419419-A1 4-AZETIDINYL-1-PHENYL-CYCLOHEXANE ANTAGONISTS OF CCR2 Janssen Pharmaceutica, N.V. (BE) 2012-02-22 EP disclosed
US-20120040960-A1 4-AZETIDINYL-1-PHENYL-CYCLOHEXANE ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTICA N.V. (BE) 2012-02-16 US disclosed
US-20120040960-A1 4-AZETIDINYL-1-PHENYL-CYCLOHEXANE ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTICA N.V. (BE) 2012-02-16 US disclosed
US-20120040960-A1 4-AZETIDINYL-1-PHENYL-CYCLOHEXANE ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTICA N.V. (BE) 2012-02-16 US disclosed
WO-2010121046-A1 4-AZETIDINYL-1-PHENYL-CYCLOHEXANE ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTICA NV (BE) 2010-10-21 WO disclosed
WO-2010121046-A1 4-AZETIDINYL-1-PHENYL-CYCLOHEXANE ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTICA NV (BE) 2010-10-21 WO disclosed
US-20100267689-A1 4-AZETIDINYL-1-PHENYL-CYCLOHEXANE ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTICA N. V. (BE) 2010-10-21 US disclosed
US-20100267689-A1 4-AZETIDINYL-1-PHENYL-CYCLOHEXANE ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTICA N. V. (BE) 2010-10-21 US disclosed
US-20100267689-A1 4-AZETIDINYL-1-PHENYL-CYCLOHEXANE ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTICA N. V. (BE) 2010-10-21 US disclosed
US-20080177036-A1 Selective Linear Peptides with Melanocortin-4 Receptor (MC4-R) Agonist Activity CHEN LI 2008-07-24 US disclosed
US-20080177036-A1 Selective Linear Peptides with Melanocortin-4 Receptor (MC4-R) Agonist Activity CHEN LI 2008-07-24 US disclosed
EP-1272516-B1 SELECTIVE LINEAR PEPTIDES WITH MELANOCORTIN-4 RECEPTOR (MC4-R) AGONIST ACTIVITY HOFFMANN LA ROCHE (CH) 2008-04-23 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 (3 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-20080177036-A1 Selective Linear Peptides with Melanocortin-4 Receptor (MC4-R) Agonist Activity MC4R, MC3R, MC1R DRD2 942/4885POLB 2412/4885CCR3 502/4885
US-20120040960-A1 4-AZETIDINYL-1-PHENYL-CYCLOHEXANE ANTAGONISTS OF CCR2 CCR2, CCR1, CCR5 DRD2 321/4885POLB 4563/4885CCR3 9/4885
US-20100267689-A1 4-AZETIDINYL-1-PHENYL-CYCLOHEXANE ANTAGONISTS OF CCR2 CCR2, CCR1, CCR5 DRD2 321/4885POLB 4563/4885CCR3 9/4885

“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.