Sugi Predict

Sugi Predict / Compounds / SCHEMBL3459782

SCHEMBL3459782

SCHEMBL3459782

CC(N)Cc1cc2ccccc2s1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2A6 P11509 4/20 0.59
▸ ASIC3 Q9UHC3 1/20 0.59
▸ LOXL2 Q9Y4K0 1/20 0.59
▸ AGXT P21549 1/20 0.54
▸ ADRB2 P07550 1/20 0.54
▸ HTR2A P28223 1/20 0.47
▸ HTR2C P28335 1/20 0.47
▸ HTR2B P41595 1/20 0.47
▸ ALOX5 P09917 3/20 0.44
▸ CYP1A2 P05177 2/20 0.44
▸ PTGES O14684 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ LTA4H P09960 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ ALOX15 P16050 1/20 0.44
▸ ALOX12 P18054 1/20 0.44
▸ ALOX5AP P20292 1/20 0.44
▸ LOX P28300 1/20 0.44
▸ EPHX2 P34913 1/20 0.44
▸ PTGS2 P35354 1/20 0.44

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
SCHEMBL20912808 1.00 CYP2A6 (0.59) CYP2A6ASIC3LOXL2AGXTADRB2
SCHEMBL19760753 1.00 CYP2A6 (0.59) CYP2A6ASIC3LOXL2AGXTADRB2
SCHEMBL6637521 1.00 CYP2A6 (0.59) CYP2A6ASIC3LOXL2AGXTADRB2
SCHEMBL30905568 1.00 CYP2A6 (0.59) CYP2A6ASIC3LOXL2AGXTADRB2
SCHEMBL5962350 0.85 CYP2A6 (0.58) CYP2A6ASIC3LOXL2AGXTADRB2
SCHEMBL5540703 0.82 CYP2A6 (0.55) CYP2A6ASIC3LOXL2AGXTADRB2
SCHEMBL9602507 0.81 AGXT (0.58) CYP2A6ASIC3LOXL2AGXTADRB2
SCHEMBL2264402 0.78 CYP2A6 (0.54) CYP2A6ASIC3LOXL2AGXTADRB2
SCHEMBL2267370 0.78 CYP2A6 (0.54) CYP2A6ASIC3LOXL2AGXTADRB2
SCHEMBL9602503 0.78 CYP2A6 (0.54) CYP2A6ASIC3LOXL2AGXTADRB2

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109311876-B Heteroaryl estrogen receptor modulators and uses thereof 豪夫迈·罗氏有限公司 2022-05-03 — — CN disclosed
EP-3472162-B1 HETEROARYL ESTROGEN RECEPTOR MODULATORS AND USES THEREOF HOFFMANN LA ROCHE (CH) 2021-11-17 — — EP disclosed
US-10654867-B2 Heteroaryl estrogen receptor modulators and uses thereof GENENTECH, INC. (US) 2020-05-19 — — US disclosed
US-10385060-B2 Piperidine derivative and preparation method and pharmaceutical use thereof JIANGSU HENGRUI MEDICINE CO., LTD. (CN) 2019-08-20 — — US disclosed
US-20180170943-A1 PIPERIDINE DERIVATIVE AND PREPARATION METHOD AND PHARMACEUTICAL USE THEREOF JIANGSU HENGRUI MEDICINE CO., LTD. (CN) 2018-06-21 — — US disclosed
US-20180170943-A1 PIPERIDINE DERIVATIVE AND PREPARATION METHOD AND PHARMACEUTICAL USE THEREOF JIANGSU HENGRUI MEDICINE CO., LTD. (CN) 2018-06-21 — — US disclosed
EP-3312184-A1 PIPERIDINE DERIVATIVE AND PREPARATION METHOD AND PHARMACEUTICAL USE THEREOF Jiangsu Hengrui Medicine Co., Ltd. (CN) 2018-04-25 — — EP disclosed
US-20180002344-A1 HETEROARYL ESTROGEN RECEPTOR MODULATORS AND USES THEREOF GENENTECH, INC. (US) 2018-01-04 — — US disclosed
WO-2016202161-A1 PIPERIDINE DERIVATIVE AND PREPARATION METHOD AND PHARMACEUTICAL USE THEREOF 江苏恒瑞医药股份有限公司 2016-12-22 — — WO disclosed
US-9249147-B2 Tyrosine kinase inhibitors CHEMBRIDGE CORPORATION (US) 2016-02-02 — — US disclosed
US-20150011539-A1 NOVEL TYROSINE KINASE INHIBITORS CHEMBRIDGE COPRPORATION 2015-01-08 — — US disclosed
US-8815906-B2 Tyrosine kinase inhibitors CHEMBRIDGE CORPORATION (US) 2014-08-26 — — US disclosed
US-8815906-B2 Tyrosine kinase inhibitors CHEMBRIDGE CORPORATION (US) 2014-08-26 — — US disclosed
US-8815906-B2 Tyrosine kinase inhibitors CHEMBRIDGE CORPORATION (US) 2014-08-26 — — US disclosed
US-20130053376-A1 NOVEL TYROSINE KINASE INHIBITORS CHEMBRIDGE COPRPORATION 2013-02-28 — — US disclosed
US-20130053376-A1 NOVEL TYROSINE KINASE INHIBITORS CHEMBRIDGE COPRPORATION 2013-02-28 — — US disclosed
US-20130053376-A1 NOVEL TYROSINE KINASE INHIBITORS CHEMBRIDGE COPRPORATION 2013-02-28 — — US disclosed
EP-2262807-A1 NOVEL TYROSINE KINASE INHIBITORS ChemBridge Corporation (US) 2010-12-22 — — EP disclosed
WO-2009117097-A1 NOVEL TYROSINE KINASE INHIBITORS CHEMBRIDGE CORPORATION (US) 2009-09-24 — — WO disclosed
WO-2009117097-A1 NOVEL TYROSINE KINASE INHIBITORS CHEMBRIDGE CORPORATION (US) 2009-09-24 — — WO 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-10385060-B2 Piperidine derivative and preparation method and pharmaceutical use thereof GPER1, CYP19A1, PGR CYP2A6 65/4885ASIC3 2712/4885LOXL2 4448/4885
US-20180002344-A1 HETEROARYL ESTROGEN RECEPTOR MODULATORS AND USES THEREOF ESR2, GPER1, ESRRA CYP2A6 112/4885ASIC3 3766/4885LOXL2 919/4885
US-20150011539-A1 NOVEL TYROSINE KINASE INHIBITORS ABL1, RET, TTBK1 CYP2A6 2803/4885ASIC3 2958/4885LOXL2 2080/4885
US-20180170943-A1 PIPERIDINE DERIVATIVE AND PREPARATION METHOD AND PHARMACEUTICAL USE THEREOF GPER1, CYP19A1, PGR CYP2A6 65/4885ASIC3 2712/4885LOXL2 4448/4885
US-20130053376-A1 NOVEL TYROSINE KINASE INHIBITORS ABL1, RET, TTBK1 CYP2A6 2803/4885ASIC3 2958/4885LOXL2 2080/4885
US-10654867-B2 Heteroaryl estrogen receptor modulators and uses thereof ESR2, GPER1, ESRRA CYP2A6 112/4885ASIC3 3766/4885LOXL2 919/4885

“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.