SCHEMBL1999837

SCHEMBL1999837

O=[C]Nc1ccc2oncc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPM5 Q9NZQ8 1/20 0.44
CHRNA7 P36544 1/20 0.36
SYK P43405 2/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
GMNN O75496 1/20 0.30
LMNA P02545 1/20 0.30
TP53 P04637 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
HTR1A P08908 1/20 0.30
THRB P10828 1/20 0.30
PIM1 P11309 1/20 0.30
CYP2C9 P11712 1/20 0.30
MAOA P21397 1/20 0.30
SLC6A2 P23975 1/20 0.30
HTR2A P28223 1/20 0.30
AGTR1 P30556 1/20 0.30
CCKBR P32239 1/20 0.30
MC4R P32245 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
SCHEMBL1996464 0.86 NPC1 (0.35) TRPM5NPC1RAB9A
SCHEMBL8306127 0.77 TRPM5 (0.50) TRPM5CHRNA7SYKNPC1RAB9A
SCHEMBL1999840 0.76 TRPM5 (0.44) TRPM5CHRNA7SYKNPC1RAB9A
SCHEMBL28513531 0.75 RAB9A (0.50) TRPM5CHRNA7SYKNPC1RAB9A
SCHEMBL9342439 0.73 ROCK2 (0.51) TRPM5NPC1RAB9ATP53CYP1A2
SCHEMBL23055243 0.72 TRPM5 (0.47) TRPM5CHRNA7SYKNPC1RAB9A
SCHEMBL13996498 0.72 TRPM5 (0.57) TRPM5CHRNA7SYKNPC1RAB9A
SCHEMBL20608197 0.71 RAB9A (0.47) TRPM5SYKNPC1RAB9ASMN1; SMN2
SCHEMBL2001766 0.70 TRPM5 (0.37) TRPM5CHRNA7SYK
SCHEMBL2616766 0.70 CYP2A6 (0.44) TRPM5NPC1RAB9ATP53CYP1A2

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120149703-A1 AZA-SUBSTITUTED SPIRO DERIVATIVES JITSUOKA MAKOTO (JP) 2012-06-14 US disclosed
US-8158791-B2 Aza-substituted spiro derivatives MSD K.K. (JP) 2012-04-17 US disclosed
US-7960402-B2 Trans-5'-(2-fluoroethoxy)-3'-oxo-N-methyl-N-(2-piperidin-1-ylethyl)-spiro[cyclohexane-1,1'-(3'H)-isobenzofuran]-4-carboxamide hydrochloride; histamine H3 receptor antagonist or inverse agonist; metabolic disorders; circulatory diseases; nervous system diseases; psychological disorders; sleep disorders BANYU PHARMACEUTICAL CO., LTD. (JP) 2011-06-14 US disclosed
US-7960394-B2 3,8-dimethyl-2-[4-(3-piperidin-1-ylpropoxy)phenyl]-4(3H)-quinazolinone; 6-chloro-3-methyl-2-[4-(3-piperidin-1-ylpropoxy)phenyl]pyrido[3,4-d]-pyrimidin-4(3H)-one; 2-[4-(1-cyclopentyl-4-piperidinyloxy)phenyl]-3-methylpyrido[2,3-d]-pyrimidin-4(3H)-one; treats metabolic, nervous system, vascular disorders BANYU PHARMACEUTICAL CO., LTD. (JP) 2011-06-14 US disclosed
US-20090258871-A1 Aza-Substituted Spiro Derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-10-15 US disclosed
EP-1795527-B1 CARBAMOYL-SUBSTITUTED SPIRO DERIVATIVE BANYU PHARMA CO LTD (JP) 2009-04-22 EP disclosed
US-20080275069-A1 Quinazoline Derivative MSD K.K. (JP) 2008-11-06 US disclosed
EP-1953165-A1 AZA-SUBSTITUTED SPIRO DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2008-08-06 EP disclosed
US-20080171753-A1 Carbamoyl-Substituted Spiro Derivative MSD K.K. (JP) 2008-07-17 US disclosed
EP-1795527-A1 CARBAMOYL-SUBSTITUTED SPIRO DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-06-13 EP disclosed
EP-1757594-A1 QUINAZOLINE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-02-28 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 (4 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-20120149703-A1 AZA-SUBSTITUTED SPIRO DERIVATIVES AZI2, NR3C2, DNMT3A TRPM5 3387/4885CHRNA7 2174/4885SYK 187/4885
US-20080275069-A1 Quinazoline Derivative HRH3, HRH4, HRH2 TRPM5 314/4885CHRNA7 110/4885SYK 1048/4885
US-20080171753-A1 Carbamoyl-Substituted Spiro Derivative HRH3, HRH4, HRH2 TRPM5 644/4885CHRNA7 156/4885SYK 616/4885
US-20090258871-A1 Aza-Substituted Spiro Derivatives AZI2, NR3C2, DNMT3A TRPM5 3387/4885CHRNA7 2174/4885SYK 187/4885

“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.