Sugi Predict

Sugi Predict / Compounds / SCHEMBL9911019

SCHEMBL9911019

SCHEMBL9911019

Clc1ccc(C2CC3CCC(C2)N3)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC6A4 P31645 5/20 0.55
▸ SLC6A3 Q01959 4/20 0.55
▸ SLC6A2 P23975 3/20 0.55
▸ HTR3A P46098 1/20 0.50
▸ CHRNB2 P17787 5/20 0.41
▸ CHRNA4 P43681 5/20 0.41
▸ CHRNA7 P36544 3/20 0.41
▸ CHRNB4 P30926 2/20 0.41
▸ CHRNA3 P32297 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ CHRNA1 P02708 1/20 0.41
▸ CHRNG P07510 1/20 0.41
▸ CHRNB1 P11230 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ CHRND Q07001 1/20 0.41
▸ CHRNA2 Q15822 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ DRD2 P14416 1/20 0.41

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
SCHEMBL17850375 0.79 SLC6A4 (0.44) SLC6A4SLC6A3SLC6A2
SCHEMBL1206040 0.79 SLC6A2 (0.54) SLC6A4SLC6A3SLC6A2DRD2
SCHEMBL1335712 0.79 SLC6A4 (0.44) SLC6A4SLC6A3SLC6A2
SCHEMBL1206038 0.79 SLC6A2 (0.54) SLC6A4SLC6A3SLC6A2DRD2
SCHEMBL1335714 0.79 SLC6A4 (0.44) SLC6A4SLC6A3SLC6A2
SCHEMBL25230604 0.79 ESR2 (0.50) CHRNB4CHRNA3
SCHEMBL8017970 0.79 SLC6A3 (0.51) SLC6A4SLC6A3SLC6A2
SCHEMBL1335690 0.79 SLC6A4 (0.42) SLC6A4SLC6A3SLC6A2CHRNB2CHRNA4
SCHEMBL1335688 0.79 SLC6A4 (0.42) SLC6A4SLC6A3SLC6A2CHRNB2CHRNA4
SCHEMBL12093044 0.78 KDM1A (0.53) SLC6A4SLC6A3SLC6A2CHRNA7

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-20200062768-A1 CX3CR1 Small Molecule Antagonists, and Methods Using Same DREXEL UNIVERSITY 2020-02-27 — — 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
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 (7 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 SLC6A4 1587/4885SLC6A3 1603/4885SLC6A2 1341/4885
US-10414771-B2 Compounds useful for inhibiting metastasis from cancer and methods using same CX3CR1, CCL2, CCR5 SLC6A4 1587/4885SLC6A3 1603/4885SLC6A2 1341/4885
US-20220144845-A1 SUBSTITUTED PYRROLO[1,2-a]QUINOXALIN-4(5H)-ONES AS CX3CR1 ANTAGONISTS CX3CR1, CCR5, CCL2 SLC6A4 1696/4885SLC6A3 2173/4885SLC6A2 2484/4885
US-20200062768-A1 CX3CR1 Small Molecule Antagonists, and Methods Using Same CX3CR1, CCR5, CXCR3 SLC6A4 1329/4885SLC6A3 1815/4885SLC6A2 1848/4885
US-20120141471-A1 Methods of Inhibiting Metastasis from Cancer CX3CR1, CXCR3, CCR5 SLC6A4 1517/4885SLC6A3 1270/4885SLC6A2 1145/4885
US-20130156761-A1 Compounds Useful for Inhibiting Metastasis from Cancer and Methods Using Same CX3CR1, CCL2, CCR5 SLC6A4 1587/4885SLC6A3 1603/4885SLC6A2 1341/4885
US-20160264587-A1 Compounds Useful for Inhibiting Metastasis from Cancer and Methods Using Same CX3CR1, CCL2, CCR5 SLC6A4 1587/4885SLC6A3 1603/4885SLC6A2 1341/4885

“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.