SCHEMBL9911015

SCHEMBL9911015

OC1(c2ccc(Cl)cc2)CC2CCC(C1)N2Cc1ccccc1

nearest known ligand 0.76

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 16/20 0.76
DRD3 P35462 13/20 0.76
DRD4 P21917 9/20 0.76
HTR2A P28223 6/20 0.63
HTR1A P08908 5/20 0.63
DRD1 P21728 4/20 0.63
HRH1 P35367 3/20 0.56
SLC6A4 P31645 2/20 0.56
HTR7 P34969 2/20 0.56
HTR2B P41595 2/20 0.56
SLC6A3 Q01959 2/20 0.56
TMEM97 Q5BJF2 2/20 0.56
SIGMAR1 Q99720 2/20 0.56
HTR2C P28335 1/20 0.56
CCR3 P51677 1/20 0.56
SLC6A2 P23975 1/20 0.55

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
SCHEMBL1513400 0.91 DRD2 (0.62) DRD2DRD3DRD4HTR2AHTR1A
SCHEMBL30608313 0.87 DRD2 (0.62) DRD2DRD3DRD4HTR2AHTR1A
SCHEMBL1206358 0.87 DRD2 (0.78) DRD2DRD3DRD4HTR2AHTR1A
SCHEMBL2448427 0.87 DRD2 (0.62) DRD2DRD3DRD4HTR2AHTR1A
SCHEMBL5099988 0.82 DRD2 (0.64) DRD2DRD3DRD4HTR2AHTR1A
SCHEMBL1513374 0.80 DRD2 (0.55) DRD2DRD3DRD4HTR2AHTR1A
SCHEMBL21755740 0.79 DRD2 (0.58) DRD2DRD3DRD4HTR2AHTR1A
SCHEMBL6490794 0.79 ALDH1A1 (0.74) DRD2DRD3DRD4
SCHEMBL6490798 0.79 ALDH1A1 (0.74) DRD2DRD3DRD4
SCHEMBL3187063 0.79 DRD2 (0.49) DRD2DRD3DRD4HTR2AHTR1A

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-20220144845-A1 SUBSTITUTED PYRROLO[1,2-a]QUINOXALIN-4(5H)-ONES AS CX3CR1 ANTAGONISTS UNIV DREXEL (US) 2022-05-12 US disclosed
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 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 2074/4885DRD3 2771/4885DRD4 2978/4885
US-10414771-B2 Compounds useful for inhibiting metastasis from cancer and methods using same CX3CR1, CCL2, CCR5 DRD2 2074/4885DRD3 2771/4885DRD4 2978/4885
US-20220144845-A1 SUBSTITUTED PYRROLO[1,2-a]QUINOXALIN-4(5H)-ONES AS CX3CR1 ANTAGONISTS CX3CR1, CCR5, CCL2 DRD2 946/4885DRD3 1639/4885DRD4 1377/4885
US-20120141471-A1 Methods of Inhibiting Metastasis from Cancer CX3CR1, CXCR3, CCR5 DRD2 2823/4885DRD3 3431/4885DRD4 3686/4885
US-20130156761-A1 Compounds Useful for Inhibiting Metastasis from Cancer and Methods Using Same CX3CR1, CCL2, CCR5 DRD2 2074/4885DRD3 2771/4885DRD4 2978/4885
US-20160264587-A1 Compounds Useful for Inhibiting Metastasis from Cancer and Methods Using Same CX3CR1, CCL2, CCR5 DRD2 2074/4885DRD3 2771/4885DRD4 2978/4885

“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.