SCHEMBL4550423

SCHEMBL4550423

Cc1ccc(CN)cc1C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 3/20 0.43
LOX P28300 1/20 0.42
IDO1 P14902 2/20 0.40
MAOB P27338 2/20 0.38
NSD2 O96028 1/20 0.38
OPRK1 P41145 5/20 0.37
ALKBH5 Q6P6C2 1/20 0.37
NOTUM Q6P988 1/20 0.36
PHGDH O43175 1/20 0.36
S1PR1 P21453 1/20 0.36
TAAR1 Q96RJ0 1/20 0.35

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
Hydrochloric Acid SCHEMBL30176001 0.98 LOXL2 (0.44) LOXL2LOXIDO1MAOBNSD2
Hydrochloric Acid SCHEMBL23166308 0.98 LOXL2 (0.44) LOXL2LOXIDO1MAOBNSD2
SCHEMBL18266613 0.86 LOXL2 (0.38) LOXL2LOXIDO1MAOBNSD2
SCHEMBL15385131 0.84 DAO (0.48) LOXL2LOXIDO1MAOBNSD2
SCHEMBL10659027 0.83 ESR1 (0.43) IDO1OPRK1ALKBH5NOTUMPHGDH
Hydrochloric Acid SCHEMBL23165936 0.82 DAO (0.47) LOXL2LOXIDO1MAOBNSD2
SCHEMBL10233484 0.82 PDE2A (0.41) IDO1OPRK1ALKBH5NOTUMPHGDH
SCHEMBL8690013 0.81 LOXL2 (0.47) LOXL2LOXIDO1MAOBNSD2
SCHEMBL23349911 0.80 OPRK1 (0.40) IDO1OPRK1ALKBH5NOTUMPHGDH
SCHEMBL122429 0.80 OPRK1 (0.37) IDO1OPRK1ALKBH5NOTUMPHGDH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2681215-B1 SERINE/THREONINE KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2015-04-22 EP claimed
CN-118695762-A Preparation method of composite material, light-emitting device and electronic equipment TCL科技集团股份有限公司 2024-09-24 CN disclosed
US-20230002373-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY NOVARTIS PHARMA AG (CH) 2023-01-05 US disclosed
WO-2021067791-A1 OXALAMIDE COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY IFM DUE, INC. (US) 2021-04-08 WO disclosed
US-9834513-B2 Benzylamine derivatives Kalvista Pharmceuticals Limited (GB) 2017-12-05 US disclosed
US-20170253561-A1 Benzylamine Derivatives KALVISTA PHARMACEUTICALS LTD (GB) 2017-09-07 US disclosed
US-9670157-B2 Benzylamine derivatives KALVISTA PHARMACEUTICALS LIMITED (GB) 2017-06-06 US disclosed
US-20160039752-A1 BENZYLAMINE DERIVATIVES KALVISTA PHARMACEUTICALS LIMITED (GB) 2016-02-11 US disclosed
US-8901316-B2 Process for preparing aminoadamantyl carbamate derivatives SHIONOGI & CO., LTD. (JP) 2014-12-02 US disclosed
US-8901316-B2 Process for preparing aminoadamantyl carbamate derivatives SHIONOGI & CO., LTD. (JP) 2014-12-02 US disclosed
WO-2012053186-A1 ARYLAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2012-04-26 WO disclosed
US-20120040942-A1 NOVEL BRONCHODILATING DIAZAHETEROARYLS RESPIRATORIUS AB (SE) 2012-02-16 US disclosed
US-8084646-B2 Process for production of hydroxyadamantaneamine SHIONOGI & CO., LTD. (JP) 2011-12-27 US disclosed
US-8084646-B2 Process for production of hydroxyadamantaneamine SHIONOGI & CO., LTD. (JP) 2011-12-27 US disclosed
US-20110269971-A1 PROCESS FOR PRODUCTION OF HYDROXYADAMANTANEAMINE SHIONOGI & CO., LTD. (JP) 2011-11-03 US disclosed
US-20110269971-A1 PROCESS FOR PRODUCTION OF HYDROXYADAMANTANEAMINE SHIONOGI & CO., LTD. (JP) 2011-11-03 US disclosed
US-20100105923-A1 PROCESS FOR PRODUCTION OF HYDROXYADAMANTANEAMINE SHIONOGI & CO., LTD. (JP) 2010-04-29 US disclosed
US-20100105923-A1 PROCESS FOR PRODUCTION OF HYDROXYADAMANTANEAMINE SHIONOGI & CO., LTD. (JP) 2010-04-29 US disclosed
EP-2088136-A1 PROCESS FOR PRODUCTION OF HYDROXYADAMANTANEAMINE Shionogi Co., Ltd. (JP) 2009-08-12 EP disclosed
WO-2008063670-A1 HETEROBICYCLIC MATRIX METALLOPROTEASE INHIBITORS ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2008-05-29 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-20230002373-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY STING1, CGAS, IRF3 LOXL2 978/4885LOX 1268/4885IDO1 1263/4885
US-20100105923-A1 PROCESS FOR PRODUCTION OF HYDROXYADAMANTANEAMINE HAAO, CYP4A11, CYP4F11 LOXL2 4649/4885LOX 3296/4885IDO1 1445/4885
US-20120040942-A1 NOVEL BRONCHODILATING DIAZAHETEROARYLS CHRM3, ADRB1, ADRB3 LOXL2 2252/4885LOX 1439/4885IDO1 824/4885
US-20110269971-A1 PROCESS FOR PRODUCTION OF HYDROXYADAMANTANEAMINE HAAO, CYP4A11, CYP4F11 LOXL2 4649/4885LOX 3296/4885IDO1 1445/4885
US-20160039752-A1 BENZYLAMINE DERIVATIVES BDKRB1, BDKRB2, KLKB1 LOXL2 2032/4885LOX 336/4885IDO1 1225/4885
US-20170253561-A1 Benzylamine Derivatives BDKRB1, BDKRB2, KLKB1 LOXL2 2032/4885LOX 336/4885IDO1 1225/4885

“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.