SCHEMBL9910972

SCHEMBL9910972

CC(=O)N(C)C1(c2ccccc2)CCN(C)CC1

nearest known ligand 0.71

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 15/20 0.71
OPRL1 P41146 11/20 0.71
OPRK1 P41145 3/20 0.48
SLC22A1 O15245 1/20 0.48
SLC6A4 P31645 1/20 0.48
ADRA1A P35348 1/20 0.48
OPRD1 P41143 1/20 0.48
KCNH2 Q12809 1/20 0.48
DRD4 P21917 1/20 0.45
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
TACR2 P21452 1/20 0.44
TACR1 P25103 1/20 0.44
TACR3 P29371 1/20 0.44
CYP2C19 P33261 1/20 0.44

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
SCHEMBL8369235 0.86 OPRM1 (0.53) OPRM1OPRL1OPRK1SLC22A1SLC6A4
SCHEMBL24856005 0.84 OPRM1 (0.61) OPRM1OPRL1CYP3A4CYP2D6CYP2C9
SCHEMBL3410403 0.83 OPRM1 (1.00) OPRM1OPRL1OPRK1
SCHEMBL14534167 0.83 OPRL1 (0.69) OPRM1OPRL1OPRK1DRD4
SCHEMBL4630038 0.81 OPRM1 (0.61) OPRM1OPRL1CYP3A4CYP2D6CYP2C9
SCHEMBL7312547 0.81 OPRM1 (0.61) OPRM1OPRL1OPRK1KCNH2CYP3A4
SCHEMBL4631671 0.79 OPRM1 (0.73) OPRM1OPRL1OPRK1
SCHEMBL7565320 0.78 OPRM1 (0.57) OPRM1OPRL1OPRK1OPRD1TACR1
SCHEMBL21635459 0.77 OPRL1 (0.60) OPRM1OPRL1OPRK1DRD4
SCHEMBL24855511 0.77 OPRM1 (0.52) OPRM1OPRL1OPRK1SLC22A1SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2598517-B1 MODULATORS OF PROTEASE ACTIVATED RECEPTORS UNIV QUEENSLAND (AU) 2019-06-26 EP disclosed
US-20180099972-A1 Compounds Useful for Inhibiting Metastasis from Cancer and Methods Using Same UNIV DREXEL (US) 2018-04-12 US disclosed
US-9856260-B2 Compounds useful for inhibiting metastasis from cancer and methods using same DREXEL UNIVERSITY (US) 2018-01-02 US disclosed
US-20160264587-A1 Compounds Useful for Inhibiting Metastasis from Cancer and Methods Using Same UNIV DREXEL (US) 2016-09-15 US disclosed
US-9375474-B2 Compounds useful for inhibiting metastasis from cancer and methods using same DREXEL UNIVERSITY (US) 2016-06-28 US disclosed
US-20130156761-A1 Compounds Useful for Inhibiting Metastasis from Cancer and Methods Using Same Alliance Discovery, Inc. (US) 2013-06-20 US disclosed
US-8435993-B2 Methods of inhibiting metastasis from cancer PHILADELPHIA HEALTH AND EDUCATION CORPORATION (US) 2013-05-07 US disclosed
US-20120141471-A1 Methods of Inhibiting Metastasis from Cancer Alliance Discovery, Inc. 2012-06-07 US 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 (4 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-20180099972-A1 Compounds Useful for Inhibiting Metastasis from Cancer and Methods Using Same CX3CR1, CCL2, CCR5 OPRM1 703/4885OPRL1 61/4885OPRK1 156/4885
US-20120141471-A1 Methods of Inhibiting Metastasis from Cancer CX3CR1, CXCR3, CCR5 OPRM1 591/4885OPRL1 64/4885OPRK1 124/4885
US-20130156761-A1 Compounds Useful for Inhibiting Metastasis from Cancer and Methods Using Same CX3CR1, CCL2, CCR5 OPRM1 703/4885OPRL1 61/4885OPRK1 156/4885
US-20160264587-A1 Compounds Useful for Inhibiting Metastasis from Cancer and Methods Using Same CX3CR1, CCL2, CCR5 OPRM1 703/4885OPRL1 61/4885OPRK1 156/4885

“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.