SCHEMBL9910985

SCHEMBL9910985

Cc1ccc(CC(=O)N2CCC[C@@H]2C(=O)N(C)Cc2ccc(Cl)cc2)cc1

nearest known ligand 0.73

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 16/20 0.73
HPGD P15428 1/20 0.53
CPT2 P23786 1/20 0.51
CPT1A P50416 1/20 0.51
PKM P14618 1/20 0.48
HTT P42858 1/20 0.48
SMN1; SMN2 Q16637 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
SCHEMBL9912174 0.88 CCR1 (0.75) CCR1HPGDCPT2CPT1A
SCHEMBL14304103 0.84 CCR1 (1.00) CCR1PKM
SCHEMBL16277207 0.82 CCR1 (0.57) CCR1CPT2CPT1APKMHTT
SCHEMBL22291795 0.81 CCR1 (0.58) CCR1HPGDCPT2CPT1APKM
SCHEMBL3987624 0.81 CCR1 (0.69) CCR1CPT2CPT1APKMHTT
SCHEMBL21696488 0.80 CCR1 (0.53) CCR1CPT2CPT1APKM
SCHEMBL3984106 0.79 CCR1 (0.67) CCR1CPT2CPT1APKMHTT
SCHEMBL3984104 0.79 CCR1 (0.67) CCR1CPT2CPT1APKMHTT
SCHEMBL14306232 0.78 CCR1 (0.75) CCR1CPT2CPT1A
SCHEMBL3987554 0.78 CCR1 (0.66) CCR1CPT2CPT1APKMHTT

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 7 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-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 CCR1 15/4885HPGD 333/4885CPT2 2448/4885
US-20120141471-A1 Methods of Inhibiting Metastasis from Cancer CX3CR1, CXCR3, CCR5 CCR1 15/4885HPGD 401/4885CPT2 2721/4885
US-20130156761-A1 Compounds Useful for Inhibiting Metastasis from Cancer and Methods Using Same CX3CR1, CCL2, CCR5 CCR1 15/4885HPGD 333/4885CPT2 2448/4885
US-20160264587-A1 Compounds Useful for Inhibiting Metastasis from Cancer and Methods Using Same CX3CR1, CCL2, CCR5 CCR1 15/4885HPGD 333/4885CPT2 2448/4885

“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.