SCHEMBL9910962

SCHEMBL9910962

CN1CCCC(O)(c2ccc(Cl)cc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 4/20 0.52
OPRL1 P41146 3/20 0.52
SLC18A3 Q16572 1/20 0.52
CCR3 P51677 2/20 0.51
DRD2 P14416 5/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
HSD11B1 P28845 1/20 0.50
OPRD1 P41143 1/20 0.50
OPRK1 P41145 1/20 0.50
ADRA1A P35348 1/20 0.48

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
SCHEMBL3591425 0.93 CCR3 (0.57) OPRM1OPRL1SLC18A3CCR3DRD2
SCHEMBL10028305 0.84 OPRL1 (0.46) OPRM1OPRL1CCR3OPRD1OPRK1
SCHEMBL17888202 0.83 OPRL1 (0.53) OPRM1OPRL1HSD11B1OPRD1OPRK1
SCHEMBL9910960 0.83 CCR3 (0.50) OPRM1OPRL1SLC18A3CCR3DRD2
SCHEMBL16249345 0.80 DRD2 (0.67) OPRM1OPRL1SLC18A3CCR3DRD2
SCHEMBL5471021 0.78 KMT2A (0.56) OPRM1CCR3DRD2MEN1KMT2A
SCHEMBL8986023 0.78 DRD2 (0.64) OPRM1OPRL1SLC18A3CCR3DRD2
SCHEMBL22870543 0.78 DRD2 (0.64) OPRM1OPRL1SLC18A3CCR3DRD2
SCHEMBL27599364 0.77 OPRL1 (0.60) OPRM1OPRL1SLC18A3CCR3DRD2
SCHEMBL14307260 0.77 CCR3 (0.69) OPRM1OPRL1CCR3DRD2ADRA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-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-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 61/4885SLC18A3 222/4885
US-20120141471-A1 Methods of Inhibiting Metastasis from Cancer CX3CR1, CXCR3, CCR5 OPRM1 591/4885OPRL1 64/4885SLC18A3 304/4885
US-20130156761-A1 Compounds Useful for Inhibiting Metastasis from Cancer and Methods Using Same CX3CR1, CCL2, CCR5 OPRM1 703/4885OPRL1 61/4885SLC18A3 222/4885
US-20160264587-A1 Compounds Useful for Inhibiting Metastasis from Cancer and Methods Using Same CX3CR1, CCL2, CCR5 OPRM1 703/4885OPRL1 61/4885SLC18A3 222/4885

“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.