SCHEMBL2895602

SCHEMBL2895602

CNCCc1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.47
PAX8 Q06710 1/20 0.47
NOS1 P29475 2/20 0.47
NOS3 P29474 1/20 0.47
TAAR1 Q96RJ0 5/20 0.45
TACR1 P25103 3/20 0.45
IDO1 P14902 2/20 0.44
ATM Q13315 1/20 0.43
TP53 P04637 1/20 0.41
CYP1A2 P05177 1/20 0.41
MAPT P10636 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
NFKB1 P19838 1/20 0.41
MAPK1 P28482 1/20 0.41
THPO P40225 1/20 0.41
HIF1A Q16665 1/20 0.41
HSD17B10 Q99714 1/20 0.41
NOS2 P35228 1/20 0.41
DAO P14920 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
Hydrochloric Acid SCHEMBL6545522 0.98 KMT2A (0.46) KMT2APAX8NOS1NOS3TAAR1
SCHEMBL15211767 0.90 NOS1 (0.53) KMT2APAX8NOS1NOS3TAAR1
SCHEMBL13590877 0.89 TAAR1 (0.51) KMT2APAX8NOS1NOS3TAAR1
SCHEMBL16516116 0.89 NOS1 (0.46) KMT2APAX8NOS1NOS3TAAR1
SCHEMBL15211305 0.87 TAAR1 (0.50) KMT2APAX8NOS1NOS3TAAR1
SCHEMBL15211722 0.84 CHRM2 (0.53) KMT2APAX8NOS1NOS3TAAR1
SCHEMBL16515747 0.84 KMT2A (0.43) KMT2APAX8NOS1NOS3TAAR1
SCHEMBL15211532 0.84 TACR1 (0.42) KMT2APAX8NOS1NOS3TAAR1
SCHEMBL3920885 0.81 TAAR1 (0.61) KMT2APAX8TAAR1IDO1ATM
SCHEMBL20153902 0.80 IDO1 (0.46) KMT2APAX8NOS1NOS3TACR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3256470-B1 METHODS TO INDUCE TARGETED PROTEIN DEGRADATION THROUGH BIFUNCTIONAL MOLECULES DANA FARBER CANCER INST INC (US) 2023-07-26 EP disclosed
EP-3036236-A1 NOVEL NEUROKININ 1 RECEPTOR ANTAGONIST COMPOUNDS II LEO PHARMA A/S (DK) 2016-06-29 EP disclosed
WO-2015024878-A1 NOVEL NEUROKININ 1 RECEPTOR ANTAGONIST COMPOUNDS II LEO PHARMA A/S (DK) 2015-02-26 WO disclosed
WO-2015024203-A1 NOVEL NEUROKININ 1 RECEPTOR ANTAGONIST COMPOUNDS II LEO PHARMA A/S (DK) 2015-02-26 WO disclosed
EP-2817312-A1 NOVEL NEUROKININ 1 RECEPTOR ANTAGONIST COMPOUNDS Leo Pharma A/S (DK) 2014-12-31 EP disclosed
WO-2013124286-A1 NOVEL NEUROKININ 1 RECEPTOR ANTAGONIST COMPOUNDS LEO PHARMA A/S (DK) 2013-08-29 WO disclosed
WO-2012175434-A1 PHARMACEUTICAL FORMULATIONS COMPRISING VESTIPITANT GLAXO GROUP LIMITED (GB) 2012-12-27 WO disclosed
EP-2170064-A1 6.5-PYRROLOPIPERIDINE TACHYKININ RECEPTOR ANTAGONISTS Merck Sharp & Dohme Corp. (US) 2010-04-07 EP disclosed
US-7625904-B2 Methods for the treatment of sleep disorders SMITHKLINE BEECHAM CORPORATION (US) 2009-12-01 US disclosed
EP-1460066-B1 Piperazine compounds as Tachykinins inhibitors GLAXO GROUP LTD (GB) 2009-07-01 EP disclosed
US-20020133012-A1 Process for preparing guanidine and amidine derivatives BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2002-09-19 US disclosed
US-6429328-B2 REACTING AN AMIDE DERIVATIVE WITH A PIPERIDINE CONTAINING GUANIDINE GROUP TO PRODUCE THE PRODUCT BOEHRINGER INGELHEIM PHARMA KG (DE) 2002-08-06 US disclosed
EP-0885204-B1 NOVEL ARYL GLYCINAMIDE DERIVATIVES, METHOD OF PRODUCING SAID DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS BOEHRINGER INGELHEIM PHARMA (DE) 2002-06-12 EP disclosed
US-20020010173-A1 Processes and intermediate compounds for preparing guanidine and amidine derivatives BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2002-01-24 US disclosed
US-6277840-B1 ANTIINFLAMMATORY AGENTS BOEHRINGER INGELHEIM PHARMA KG (DE) 2001-08-21 US disclosed
EP-1086088-A2 NOVEL NEUROKININ ANTAGONISTS, METHOD FOR THE PRODUCTION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAID COMPOUNDS Boehringer Ingelheim Pharma KG (DE) 2001-03-28 EP disclosed
US-6103719-A NEUROKININ-A- OR NEUROKININ-B TACHNKININ ANTAGONISTIC PROPERTIES; SUBSTANCE P ANTAGONISM; RESPIRATORY, GASTROINTESTINAL, NERVOUS SYSTEM, SKIN DISORDERS; BOEHRINGER INGELHEIM PHARMA KG (DE) 2000-08-15 US disclosed
WO-1999062893-A2 NOVEL NEUROKININ ANTAGONISTS, METHOD FOR THE PRODUCTION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAID COMPOUNDS BOEHRINGER INGELHEIM PHARMA KG (DE) 1999-12-09 WO disclosed
EP-0885204-A1 NOVEL ARYL GLYCINAMIDE DERIVATIVES, METHOD OF PRODUCING SAID DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS Boehringer Ingelheim Pharma KG (DE) 1998-12-23 EP disclosed
WO-1997032865-A1 NOVEL ARYL GLYCINAMIDE DERIVATIVES, METHOD OF PRODUCING SAID DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS BOEHRINGER INGELHEIM PHARMA KG (DE) 1997-09-12 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 (2 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-20020010173-A1 Processes and intermediate compounds for preparing guanidine and amidine derivatives CCKAR, NPY2R, CCKBR KMT2A 2199/4885PAX8 2885/4885NOS1 980/4885
US-20020133012-A1 Process for preparing guanidine and amidine derivatives NPY2R, NPY1R, CCKAR KMT2A 1943/4885PAX8 2408/4885NOS1 1085/4885

“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.