SCHEMBL1460417

SCHEMBL1460417

Cc1nc(C(F)(F)F)ccc1C#N

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.42
CXCR4 P61073 1/20 0.42
AR P10275 15/20 0.41
SLC6A4 P31645 1/20 0.39
NOS2 P35228 1/20 0.39
TRPV4 Q9HBA0 1/20 0.38
LMNA P02545 1/20 0.36

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
SCHEMBL2692189 0.84 KDM4E (0.36) KDM4EAR
SCHEMBL27810310 0.81 KDM4E (0.42) KDM4ECXCR4TRPV4LMNA
SCHEMBL26150445 0.78 SLC6A4 (0.40) ARSLC6A4NOS2TRPV4
SCHEMBL12775303 0.78 AR (0.40) ARSLC6A4NOS2
SCHEMBL25415107 0.77 KHK (0.41) ARSLC6A4NOS2
SCHEMBL14955073 0.77 TRPV4 (0.39) ARSLC6A4NOS2TRPV4
SCHEMBL29480826 0.77 AR (0.41) ARSLC6A4NOS2
SCHEMBL14658984 0.77 AR (0.41) ARSLC6A4NOS2
SCHEMBL12167442 0.77 SLC6A4 (0.42) KDM4EARSLC6A4NOS2
SCHEMBL31042250 0.77 KHK (0.41) ARSLC6A4NOS2

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-112437771-B Bronchodilating heteroatom-linked amides 阿凯德制药公司 2024-06-18 CN disclosed
WO-2023114198-A2 METHODS FOR THE SYNTHESIS OF COMPLEMENT FACTOR D INHIBITORS ALEXION PHARMACEUTICALS, INC. (US) 2023-06-22 WO disclosed
WO-2023114200-A2 METHODS FOR THE SYNTHESIS OF COMPLEMENT FACTOR D INHIBITORS AND INTERMEDIATES THEREOF ALEXION PHARMACEUTICALS, INC. (US) 2023-06-22 WO disclosed
US-11680054-B2 Bronchodilating hetero-linked amides ARCEDE PHARMA AB (SE) 2023-06-20 US disclosed
US-11680054-B2 Bronchodilating hetero-linked amides ARCEDE PHARMA AB (SE) 2023-06-20 US disclosed
US-11680054-B2 Bronchodilating hetero-linked amides ARCEDE PHARMA AB (SE) 2023-06-20 US disclosed
US-20230000847-A1 COMPOUNDS THAT MODULATES AMPA RECEPTOR FUNCTION DRAIG THERAPEUTICS LTD (GB) 2023-01-05 US disclosed
US-11298345-B2 Compounds that modulates AMPA receptor function UNIVERSITY COLLEGE CARDIFF CONSULTANTS LIMITED (GB) 2022-04-12 US disclosed
EP-3818055-B1 NOVEL BRONCHODILATING HETERO-LINKED AMIDES RESPIRATORIUS AB PUBL (SE) 2022-02-16 EP disclosed
EP-3818055-B1 NOVEL BRONCHODILATING HETERO-LINKED AMIDES RESPIRATORIUS AB PUBL (SE) 2022-02-16 EP disclosed
US-9216975-B2 TRPV1 vanilloid receptor antagonists with a bicyclic portion Serentrix, LLC. (US) 2015-12-22 US disclosed
US-20130079339-A1 TRPV1 VANILLOID RECEPTOR ANTAGONISTS WITH A BICYCLIC PORTION PHARMESTE S.R.L. (IT) 2013-03-28 US disclosed
US-20120251551-A1 Substituted (Heteroarylmethyl)thiohydantoins BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-10-04 US disclosed
CN-102639523-A Substituted (heteroarylmethyl) thiohydantoin useful as anticancer agents BAYER SCHERING PHARMA AG 2012-08-15 CN disclosed
EP-2475653-A1 SUSTITUTED ( HETEROARYLMETHYL ) THIOHYDANTOINS AS ANTICANCER DRUGS Bayer Pharma Aktiengesellschaft (DE) 2012-07-18 EP disclosed
US-8063078-B2 Urea-compounds active as vanilloid receptor antagonists for the treatment of pain GLAXOSMITHKLINE LLC (US) 2011-11-22 US disclosed
EP-2298757-A2 Urea compounds active as vanilloid receptor antagonist for the treatment of pain Glaxo Group Limited (GB) 2011-03-23 EP disclosed
WO-2011029537-A1 SUSTITUTED ( HETEROARYLMETHYL ) THIOHYDANTOINS AS ANTICANCER DRUGS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-03-17 WO disclosed
US-20090163506-A1 Urea-compounds active as vanilloid receptor antagonists for the treatment of pain SMITHKLINE BEECHAM PLC. (GB) 2009-06-25 US disclosed
EP-2036902-A2 Urea compounds active as vanilloid receptor antagonist for the treatment of pain Glaxo Group Limited (GB) 2009-03-18 EP 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-20230000847-A1 COMPOUNDS THAT MODULATES AMPA RECEPTOR FUNCTION GRIN1, GRM1, GRIN2A KDM4E 3845/4885CXCR4 610/4885AR 1881/4885
US-11680054-B2 Bronchodilating hetero-linked amides PTGIS, PTGIR, ADRB2 KDM4E 4068/4885CXCR4 1917/4885AR 1883/4885
US-20120251551-A1 Substituted (Heteroarylmethyl)thiohydantoins TPMT, BPHL, VHL KDM4E 2244/4885CXCR4 4082/4885AR 58/4885
US-20090163506-A1 Urea-compounds active as vanilloid receptor antagonists for the treatment of pain TRPV1, OPRL1, UTS2R KDM4E 3411/4885CXCR4 652/4885AR 1247/4885
US-11298345-B2 Compounds that modulates AMPA receptor function GRIN1, GRM1, GRIN2A KDM4E 3845/4885CXCR4 610/4885AR 1881/4885
US-20130079339-A1 TRPV1 VANILLOID RECEPTOR ANTAGONISTS WITH A BICYCLIC PORTION TRPV1, TRPV5, TRPV3 KDM4E 3115/4885CXCR4 365/4885AR 1188/4885

“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.