SCHEMBL990153

SCHEMBL990153

CCCc1ccc(F)cn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.46
KCNH2 Q12809 2/20 0.41
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
MBOAT4 Q96T53 1/20 0.39
SREBF2 Q12772 1/20 0.38
NPC1 O15118 1/20 0.35
HTT P42858 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34
CYP3A4 P08684 1/20 0.34
TSHR P16473 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
HDAC6 Q9UBN7 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL18227939 0.88 DAO (0.44) DAOKCNH2HTR2AHTR2CMBOAT4
SCHEMBL22222753 0.86 KCNH2 (0.46) DAOKCNH2HTR2AHTR2CRAB9A
SCHEMBL19309235 0.84 KCNH2 (0.48) DAOKCNH2HTR2AHTR2CNPC1
SCHEMBL10327494 0.84 KCNH2 (0.48) DAOKCNH2HTR2AHTR2CNPC1
SCHEMBL26674471 0.84 KCNH2 (0.48) DAOKCNH2HTR2AHTR2CNPC1
SCHEMBL2336915 0.82
SCHEMBL30677359 0.78 DAO (0.46) DAOKCNH2HTR2AHTR2CMBOAT4
SCHEMBL29791989 0.78 HRH1 (0.47) DAOKCNH2HTR2AHTR2CMBOAT4
SCHEMBL931457 0.78 DAO (0.46) DAOKCNH2HTR2AHTR2CMBOAT4
SCHEMBL3914835 0.78 DAO (0.46) DAOKCNH2HTR2AHTR2CMBOAT4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230295131-A1 INHIBITORS OF RHO-ASSOCIATED COILED-COIL KINASE ANGION BIOMEDICA CORP. 2023-09-21 US disclosed
EP-3324977-B1 BENZODIAZEPINE DERIVATIVES AS RSV INHIBITORS ENANTA PHARM INC (US) 2022-07-13 EP disclosed
US-11059826-B2 Pteridinone compounds and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2021-07-13 US disclosed
US-20190322673-A1 PTERIDINONE COMPOUNDS AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED 2019-10-24 US disclosed
EP-2240452-B1 1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-AMINE DERIVATIVES AS PI3 KINASE MODULATORS, THEIR COMPOSITIONS AND USES INTELLIKINE LLC (US) 2019-05-29 EP disclosed
WO-2019067864-A1 COMBINATION PHARMACEUTICAL AGENTS AS RSV INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2019-04-04 WO disclosed
US-RE47302-E1 Peptide epoxyketone immunoproteasome inhibitors ONYX THERAPEUTICS INC. (US) 2019-03-19 US disclosed
WO-2018129287-A1 HETEROARYLDIAZEPINE DERIVATIVES AS RSV INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2018-07-12 WO disclosed
US-9926314-B2 Compounds and compositions for the treatment of parasitic diseases NOVARTIS AG (CH) 2018-03-27 US disclosed
US-20180044343-A1 BICYCLIC IMIDAZOLO DERIVATIVE SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2018-02-15 US disclosed
US-20120115811-A1 PHENYLANALINE AMIDE DERIVATIVES USEFUL FOR TREATING INSULIN-RELATED DISEASES AND CONDITIONS AMGEN INC. (US) 2012-05-10 US disclosed
US-20120015052-A1 P2X3 RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN MERCK SHARP & DOHME LLC 2012-01-19 US disclosed
WO-2011032277-A1 QUINAZOLINONE DERIVATIVES AS VIRAL POLYMERASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-03-24 WO disclosed
EP-2272509-A1 New Uses of metabotropic glutamate receptors Novartis AG (CH) 2011-01-12 EP disclosed
US-20100041641-A1 USES OF METABOTROPIC GLUTAMATE RECEPTORS RALF GLATTHAR 2010-02-18 US disclosed
EP-2069305-A2 NICOTINIC ACID DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS Novartis AG (CH) 2009-06-17 EP disclosed
US-20090005363-A1 Organic Compounds NOVARTIS AG (CH) 2009-01-01 US disclosed
EP-1966144-A1 NICOTINIC ACID DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS Novartis AG (CH) 2008-09-10 EP disclosed
WO-2008031550-A2 NICOTINIC ACID DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTANATE RECEPTORS NOVARTIS AG (CH) 2008-03-20 WO disclosed
WO-2007071358-A1 NICOTINIC ACID DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS NOVARTIS AG (CH) 2007-06-28 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-20180044343-A1 BICYCLIC IMIDAZOLO DERIVATIVE PDE3A, PDE2A, PDE5A DAO 312/4885KCNH2 2435/4885HTR2A 3253/4885
US-20100041641-A1 USES OF METABOTROPIC GLUTAMATE RECEPTORS GRM5, GRM2, GRM1 DAO 1159/4885KCNH2 2618/4885HTR2A 151/4885
US-20090005363-A1 Organic Compounds NNT, NAPRT, CHRNA5 DAO 930/4885KCNH2 1727/4885HTR2A 670/4885
US-20190322673-A1 PTERIDINONE COMPOUNDS AND USES THEREOF DPYD, PKD1, TYMP DAO 1329/4885KCNH2 4273/4885HTR2A 3849/4885
US-11059826-B2 Pteridinone compounds and uses thereof DPYD, PKD1, TYMP DAO 1329/4885KCNH2 4273/4885HTR2A 3849/4885
US-20120115811-A1 PHENYLANALINE AMIDE DERIVATIVES USEFUL FOR TREATING INSULIN-RELATED DISEASES AND CONDITIONS IAPP, INSR, AMY2A DAO 1735/4885KCNH2 3037/4885HTR2A 416/4885
US-20230295131-A1 INHIBITORS OF RHO-ASSOCIATED COILED-COIL KINASE ROCK1, ROCK2, RHOA DAO 4037/4885KCNH2 4274/4885HTR2A 3812/4885
US-20120015052-A1 P2X3 RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN P2RX3, P2RX1, P2RX2 DAO 2719/4885KCNH2 705/4885HTR2A 331/4885

“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.