SCHEMBL521969

SCHEMBL521969

FC1(F)CCN(C2CCNCC2)CC1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.39
HPGD P15428 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
IRAK4 Q9NWZ3 2/20 0.33
HTR6 P50406 1/20 0.32
L3MBTL3 Q96JM7 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
PARP1 P09874 1/20 0.32
PLAT P00750 1/20 0.30

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
4,4-Difluoro-Piperidinium SCHEMBL14655229 0.96 HRH3 (0.37) HRH3HPGDKMT2ASMN1; SMN2IRAK4
SCHEMBL2574751 0.88 HTR6 (0.47) HRH3HTR6
SCHEMBL15363252 0.88 HTR6 (0.47) HRH3HTR6
SCHEMBL2372681 0.88 DPP4 (0.37) HRH3IRAK4PLAT
Hydrochloric Acid SCHEMBL23884910 0.86 DPP4 (0.36) HRH3HPGDKMT2ASMN1; SMN2IRAK4
Hydrochloric Acid SCHEMBL3606485 0.86 DPP4 (0.36) HRH3HPGDKMT2ASMN1; SMN2IRAK4
SCHEMBL27347572 0.83 HTR6 (0.41) HRH3HPGDKMT2ASMN1; SMN2HTR6
Hydrochloric Acid SCHEMBL27147799 0.81 HPGD (0.43) HRH3HPGDKMT2ASMN1; SMN2HTR6
SCHEMBL1826521 0.79 HRH3 (0.46) HRH3HTR6
SCHEMBL13381568 0.78 CYP2D6 (0.40) HRH3HPGDKMT2ASMN1; SMN2L3MBTL3

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
US-12637467-B2 Inhibitor of BTK and mutants thereof NEWAVE PHARMACEUTICAL INC. (US) 2026-05-26 US disclosed
US-20220363689-A1 INHIBITOR OF BTK AND MUTANTS THEREOF NEWAVE PHARMACEUTICAL INC. 2022-11-17 US disclosed
US-20220135569-A1 INHIBITOR OF BTK AND MUTANTS THEREOF NEWAVE PHARMACEUTICAL INC. 2022-05-05 US disclosed
CN-113939292-A Inhibitors of BTK and mutants thereof 广州麓鹏制药有限公司 2022-01-14 CN disclosed
WO-2021066958-A1 INHIBITOR OF BTK AND MUTANTS THEREOF NEWAVE PHARMACEUTICAL INC. (US) 2021-04-08 WO disclosed
US-20170333426-A1 1,2,4-Triazolo [4,3-A] Pyridine Derivatives And Their Use For The Treatment Of Prevention Of Neurological And Psychiatric Disorders JANSSEN PHARMACEUTICALS INC (US) 2017-11-23 US disclosed
US-9737533-B2 1,2,4-triazolo [4,3-A] pyridine derivatives and their use for the treatment of prevention of neurological and psychiatric disorders Janssen Pharmaceuticals. Inc. (US) 2017-08-22 US disclosed
EP-2615089-B1 Pyrazoloquinoline compounds ASTELLAS PHARMA INC (JP) 2016-04-27 EP disclosed
EP-2549872-B1 TRPV4 ANTAGONISTS GLAXOSMITHKLINE LLC (US) 2015-11-25 EP disclosed
EP-2376491-B1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS CEPHALON INC (US) 2015-03-04 EP disclosed
US-20120028919-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS CEPHALON, INC. (US) 2012-02-02 US disclosed
EP-2376491-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS Cephalon, Inc. (US) 2011-10-19 EP disclosed
WO-2010071885-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS CEPHALON, INC. (US) 2010-06-24 WO disclosed
US-20100152171-A1 CGRP Antagonists BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2010-06-17 US disclosed
US-7700589-B2 CGRP antagonists BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2010-04-20 US disclosed
WO-2009131246-A1 SORDARIN DERIVATIVES FOR PREVENTING OR TREATING INFECTIOUS DISEASES CAUSED BY PATHOGENIC MICROORGANISMS ASTELLAS PHARMA INC. (JP) 2009-10-29 WO disclosed
US-20070244099-A1 CGRP Antagonists RUDOLF KLAUS 2007-10-18 US disclosed
EP-1558601-A1 SELECTED CGRP ANTAGONISTS, METHOD FOR PRODUCTION AND USE THEREOF AS MEDICAMENT BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2005-08-03 EP disclosed
US-20040132716-A1 CGRP antagonists BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-07-08 US disclosed
WO-2004037811-A1 SELECTED CGRP ANTAGONISTS, METHOD FOR PRODUCTION AND USE THEREOF AS MEDICAMENT BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-05-06 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 (8 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-20220363689-A1 INHIBITOR OF BTK AND MUTANTS THEREOF BTK, SYK, LYN HRH3 1292/4885HPGD 4158/4885KMT2A 743/4885
US-20070244099-A1 CGRP Antagonists CALCRL, OPRL1, CALCA HRH3 400/4885HPGD 1059/4885KMT2A 2784/4885
US-20100152171-A1 CGRP Antagonists CALCRL, OPRL1, CALCA HRH3 400/4885HPGD 1059/4885KMT2A 2784/4885
US-20220135569-A1 INHIBITOR OF BTK AND MUTANTS THEREOF BTK, SYK, LYN HRH3 1163/4885HPGD 4153/4885KMT2A 740/4885
US-20040132716-A1 CGRP antagonists OPRL1, HTR1D, CALCA HRH3 368/4885HPGD 990/4885KMT2A 3246/4885
US-12637467-B2 Inhibitor of BTK and mutants thereof BTK, CNKSR1, SYK HRH3 1340/4885HPGD 4494/4885KMT2A 1575/4885
US-20170333426-A1 1,2,4-Triazolo [4,3-A] Pyridine Derivatives And Their Use For The Treatment Of Prevention Of Neurological And Psychiatric Disorders GRM2, GRM1, GRIN2C HRH3 392/4885HPGD 1873/4885KMT2A 988/4885
US-20120028919-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS JAK2, ALK, ABL1 HRH3 1453/4885HPGD 3064/4885KMT2A 114/4885

“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.