SCHEMBL9105318

SCHEMBL9105318

O=C(O)C(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1

nearest known ligand 0.87

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 5/20 0.87
CCR1 P32246 11/20 0.80
ADRA2A P08913 3/20 0.73
DRD4 P21917 3/20 0.73
SLC6A4 P31645 3/20 0.73
HRH2 P25021 2/20 0.73
ADRA1A P35348 2/20 0.73
KCNH2 Q12809 2/20 0.73
SCN5A Q14524 2/20 0.73
ADRA2B P18089 1/20 0.73
ADRA2C P18825 1/20 0.73
HRH1 P35367 1/20 0.73
HRH3 Q9Y5N1 1/20 0.73
CCR3 P51677 6/20 0.72
MEN1 O00255 2/20 0.70
LMNA P02545 2/20 0.70
ADRB2 P07550 2/20 0.70
OPRD1 P41143 2/20 0.70
OPRK1 P41145 2/20 0.70
HTR2B P41595 2/20 0.70

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
SCHEMBL14580936 0.93 OPRM1 (1.00) OPRM1CCR1ADRA2ADRD4SLC6A4
SCHEMBL2310814 0.85 OPRM1 (0.85) OPRM1CCR1ADRA2ADRD4SLC6A4
SCHEMBL12387698 0.85 OPRM1 (0.85) OPRM1CCR1ADRA2ADRD4SLC6A4
SCHEMBL8901930 0.85 CCR1 (0.74) OPRM1CCR1ADRA2ADRD4SLC6A4
SCHEMBL2313168 0.84 OPRM1 (1.00) OPRM1CCR1ADRA2ADRD4SLC6A4
SCHEMBL12387673 0.84 OPRM1 (1.00) OPRM1CCR1ADRA2ADRD4SLC6A4
SCHEMBL8891231 0.84 CCR1 (1.00) OPRM1CCR1CCR3
Hydrochloric Acid SCHEMBL7170114 0.84 OPRM1 (0.98) OPRM1CCR1ADRA2ADRD4SLC6A4
SCHEMBL9108847 0.84 CCR1 (0.82) OPRM1CCR1CCR3
SCHEMBL21538258 0.83 OPRM1 (0.82) OPRM1CCR1ADRA2ADRD4SLC6A4

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-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
EP-2648754-A2 METHODS OF INHIBITING METASTASIS FROM CANCER Philadelphia Health and Education Corporation D/B/A (US) 2013-10-16 EP 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

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 OPRM1 703/4885CCR1 15/4885ADRA2A 1128/4885
US-10414771-B2 Compounds useful for inhibiting metastasis from cancer and methods using same CX3CR1, CCL2, CCR5 OPRM1 703/4885CCR1 15/4885ADRA2A 1128/4885
US-20120141471-A1 Methods of Inhibiting Metastasis from Cancer CX3CR1, CXCR3, CCR5 OPRM1 591/4885CCR1 15/4885ADRA2A 894/4885
US-20130156761-A1 Compounds Useful for Inhibiting Metastasis from Cancer and Methods Using Same CX3CR1, CCL2, CCR5 OPRM1 703/4885CCR1 15/4885ADRA2A 1128/4885
US-20160264587-A1 Compounds Useful for Inhibiting Metastasis from Cancer and Methods Using Same CX3CR1, CCL2, CCR5 OPRM1 703/4885CCR1 15/4885ADRA2A 1128/4885

“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.