SCHEMBL9911006

SCHEMBL9911006

N#CC(CCCCl)(c1ccccc1)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.56
DRD4 P21917 2/20 0.56
OPRM1 P35372 2/20 0.56
DRD3 P35462 2/20 0.56
CYP2D6 P10635 1/20 0.56
CCR3 P51677 3/20 0.55
KCNA3 P22001 6/20 0.50
ATM Q13315 1/20 0.49
RAB9A P51151 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
CCR1 P32246 5/20 0.47

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
SCHEMBL2312446 0.88 DRD2 (0.59) DRD2DRD4OPRM1DRD3CYP2D6
SCHEMBL6258542 0.83 DRD2 (0.68) DRD2DRD4OPRM1DRD3CYP2D6
SCHEMBL9721564 0.81 CCR1 (0.43) DRD2DRD4OPRM1DRD3CYP2D6
SCHEMBL8046070 0.81 DRD2 (0.56) DRD2DRD4OPRM1DRD3CYP2D6
SCHEMBL18015780 0.81 DRD2 (0.61) DRD2DRD4OPRM1DRD3CYP2D6
SCHEMBL23654620 0.81 DRD2 (0.56) DRD2DRD4OPRM1DRD3CYP2D6
SCHEMBL4484524 0.81 DRD2 (0.56) DRD2DRD4OPRM1DRD3CYP2D6
SCHEMBL18014693 0.79 DRD2 (0.59) DRD2DRD4OPRM1DRD3CYP2D6
SCHEMBL2087472 0.77 DRD2 (0.56) DRD2DRD4OPRM1DRD3CYP2D6
SCHEMBL11428691 0.77 DRD2 (0.81) DRD2DRD4OPRM1DRD3CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10414771-B2 Compounds useful for inhibiting metastasis from cancer and methods using same DREXEL UNIVERSITY (US) 2019-09-17 US disclosed
US-20180099972-A1 Compounds Useful for Inhibiting Metastasis from Cancer and Methods Using Same UNIV DREXEL (US) 2018-04-12 US 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-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
WO-2012078633-A2 METHODS OF INHIBITING METASTASIS FROM CANCER PHILADELPHIA HEALTH AND EDUCATION CORPORATION, D/B/A DREXEL UNIVERSITY COLLEGE OF MEDICENE (US) 2012-06-14 WO disclosed
US-20120141471-A1 Methods of Inhibiting Metastasis from Cancer Alliance Discovery, Inc. 2012-06-07 US disclosed
US-20120141471-A1 Methods of Inhibiting Metastasis from Cancer Alliance Discovery, Inc. 2012-06-07 US disclosed
US-4086234-A Process for the preparation of tertiary amines G. D. SEARLE & CO. (US) 1978-04-25 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 (5 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 DRD2 2074/4885DRD4 2978/4885OPRM1 703/4885
US-10414771-B2 Compounds useful for inhibiting metastasis from cancer and methods using same CX3CR1, CCL2, CCR5 DRD2 2074/4885DRD4 2978/4885OPRM1 703/4885
US-20120141471-A1 Methods of Inhibiting Metastasis from Cancer CX3CR1, CXCR3, CCR5 DRD2 2823/4885DRD4 3686/4885OPRM1 591/4885
US-20130156761-A1 Compounds Useful for Inhibiting Metastasis from Cancer and Methods Using Same CX3CR1, CCL2, CCR5 DRD2 2074/4885DRD4 2978/4885OPRM1 703/4885
US-20160264587-A1 Compounds Useful for Inhibiting Metastasis from Cancer and Methods Using Same CX3CR1, CCL2, CCR5 DRD2 2074/4885DRD4 2978/4885OPRM1 703/4885

“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.