SCHEMBL9910975

SCHEMBL9910975

CN1CCC(c2ccsc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
QDPR P09417 2/20 0.47
CHRM2 P08172 1/20 0.42
CHRM4 P08173 1/20 0.42
CHRM5 P08912 1/20 0.42
CHRM1 P11229 1/20 0.42
CHRM3 P20309 1/20 0.42
PLG P00747 1/20 0.41
LSS P48449 1/20 0.41
HTR6 P50406 1/20 0.39
HRH4 Q9H3N8 1/20 0.39
HSD17B10 Q99714 2/20 0.37
TSHR P16473 1/20 0.37
HTR1A P08908 1/20 0.37
HTR1D P28221 1/20 0.37
HTR1B P28222 1/20 0.37
HTR1F P30939 1/20 0.37
APOBEC3A P31941 1/20 0.36
APOBEC3G Q9HC16 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL9912154 0.80 DRD2 (0.44) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL27898091 0.79 DRD2 (0.48) LSSHTR6DRD2
SCHEMBL18825946 0.77 KDR (0.41) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL3089324 0.77
SCHEMBL146605 0.75 KDR (0.43) CHRM2CHRM4CHRM5CHRM1CHRM3
Formaldehyde SCHEMBL27083167 0.75 HCAR2 (0.40) CHRM2CHRM4CHRM5CHRM1CHRM3
Cyanide SCHEMBL27524019 0.75 HCAR2 (0.36) CHRM2CHRM4CHRM5CHRM1CHRM3
Acetonitrile SCHEMBL27082545 0.74 ALDH1A1 (0.36) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL1365978 0.72 HCAR2 (0.38) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL12526246 0.72 HCAR2 (0.35) CHRM2CHRM4CHRM5CHRM1CHRM3

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 13 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-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
US-20120141471-A1 Methods of Inhibiting Metastasis from Cancer Alliance Discovery, Inc. 2012-06-07 US disclosed
CN-1805951-A Substituted piperidine carbamates for use as inhibitors of hormone sensitive lipase NOVO NORDISK AS (DK) 2006-07-19 CN 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 QDPR 404/4885CHRM2 273/4885CHRM4 391/4885
US-20120141471-A1 Methods of Inhibiting Metastasis from Cancer CX3CR1, CXCR3, CCR5 QDPR 792/4885CHRM2 214/4885CHRM4 323/4885
US-20130156761-A1 Compounds Useful for Inhibiting Metastasis from Cancer and Methods Using Same CX3CR1, CCL2, CCR5 QDPR 404/4885CHRM2 273/4885CHRM4 391/4885
US-20160264587-A1 Compounds Useful for Inhibiting Metastasis from Cancer and Methods Using Same CX3CR1, CCL2, CCR5 QDPR 404/4885CHRM2 273/4885CHRM4 391/4885

“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.