SCHEMBL9106795

SCHEMBL9106795

N#CC(CCCN1CCC(C(=O)O)(c2ccccc2)CC1)(c1ccccc1)c1ccccc1

nearest known ligand 0.73

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 12/20 0.70
KCNA3 P22001 3/20 0.68
OPRM1 P35372 1/20 0.66
CCR3 P51677 1/20 0.63

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
Difenoxin SCHEMBL123801 0.93 KCNA3 (0.78) CCR1KCNA3OPRM1CCR3
Difenoxin SCHEMBL11604884 0.92 KCNA3 (0.76) CCR1KCNA3OPRM1CCR3
Difenoxin SCHEMBL149008 0.92 KCNA3 (0.76) CCR1KCNA3OPRM1CCR3
SCHEMBL9107132 0.84 KCNA3 (0.86) CCR1KCNA3CCR3
SCHEMBL11612518 0.84 KCNA3 (0.50) CCR1KCNA3OPRM1
SCHEMBL11721054 0.84 KCNA3 (0.66) CCR1KCNA3OPRM1CCR3
SCHEMBL10064332 0.84 KCNA3 (0.78) CCR1KCNA3OPRM1CCR3
Diphenoxylate SCHEMBL8160138 0.83 OPRM1 (0.94) KCNA3OPRM1
Hydrochloric Acid SCHEMBL11604880 0.83 KCNA3 (0.73) CCR1KCNA3OPRM1CCR3
SCHEMBL11604250 0.83 KCNA3 (0.84) CCR1KCNA3OPRM1CCR3

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
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-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 (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 CCR1 15/4885KCNA3 1764/4885OPRM1 703/4885
US-10414771-B2 Compounds useful for inhibiting metastasis from cancer and methods using same CX3CR1, CCL2, CCR5 CCR1 15/4885KCNA3 1764/4885OPRM1 703/4885
US-20120141471-A1 Methods of Inhibiting Metastasis from Cancer CX3CR1, CXCR3, CCR5 CCR1 15/4885KCNA3 1689/4885OPRM1 591/4885
US-20130156761-A1 Compounds Useful for Inhibiting Metastasis from Cancer and Methods Using Same CX3CR1, CCL2, CCR5 CCR1 15/4885KCNA3 1764/4885OPRM1 703/4885
US-20160264587-A1 Compounds Useful for Inhibiting Metastasis from Cancer and Methods Using Same CX3CR1, CCL2, CCR5 CCR1 15/4885KCNA3 1764/4885OPRM1 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.