SCHEMBL9967760

SCHEMBL9967760

CC(C)CCCc1cccc(Cl)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNMT P11086 2/20 0.55
AOC3 Q16853 1/20 0.54
TAAR1 Q96RJ0 3/20 0.53
TSHR P16473 1/20 0.50
RECQL P46063 1/20 0.50
HTR3E A5X5Y0 1/20 0.50
HTR3B O95264 1/20 0.50
HTR3A P46098 1/20 0.50
HTR3D Q70Z44 1/20 0.50
HTR3C Q8WXA8 1/20 0.50
IDO1 P14902 1/20 0.45
TDO2 P48775 1/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
KMT2A Q03164 1/20 0.45
CHRM2 P08172 2/20 0.45
CHRM1 P11229 1/20 0.45
CHRM3 P20309 1/20 0.45
SLC2A1 P11166 1/20 0.43
GRIN2D O15399 1/20 0.43

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
SCHEMBL25786628 0.93 PNMT (0.51) PNMTAOC3TAAR1TSHRRECQL
SCHEMBL5103603 0.89 PNMT (0.58) PNMTAOC3TAAR1TSHRRECQL
SCHEMBL6570948 0.83 HTR3E (0.49) PNMTAOC3TAAR1TSHRRECQL
SCHEMBL5241228 0.82 TAAR1 (0.68) PNMTAOC3TAAR1HTR3EHTR3B
SCHEMBL11253786 0.81 PNMT (0.50) PNMTAOC3TAAR1TSHRRECQL
SCHEMBL11139523 0.81 PNMT (0.50) PNMTAOC3TAAR1TSHRRECQL
SCHEMBL31567921 0.80 TAAR1 (0.65) PNMTAOC3TAAR1HTR3EHTR3B
SCHEMBL25786637 0.80 PNMT (0.49) PNMTAOC3TAAR1TSHRRECQL
SCHEMBL13995331 0.80 TAAR1 (0.60) PNMTAOC3TAAR1TSHRRECQL
SCHEMBL197297 0.79 TAAR1 (0.59) PNMTAOC3TAAR1HTR3EHTR3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150173359-A1 SUBSTITUTED FUSED PYRIMIDINONES AND DIHYDROPYRIMIDINONES BAYER IP GMBH (DE) 2015-06-25 US disclosed
US-20150173359-A1 SUBSTITUTED FUSED PYRIMIDINONES AND DIHYDROPYRIMIDINONES BAYER IP GMBH (DE) 2015-06-25 US disclosed
US-9006265-B2 Substituted fused pyrimidinones and dihydropyrimidinones BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-04-14 US disclosed
US-9006265-B2 Substituted fused pyrimidinones and dihydropyrimidinones BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-04-14 US disclosed
US-20120157306-A1 Substituted Fused Pyrimidinones and Dihydropyrimidinones BAYER CROPSCIENCE AG (DE) 2012-06-21 US disclosed
US-20100144698-A1 SUBSTITUTED AZETIDINONES DAIAMED (US) 2010-06-10 US disclosed
US-20090143351-A1 SUBSTITUTED AZETIDINONES DAIAMED (US) 2009-06-04 US disclosed
US-7501404-B2 Substituted azetidinones DAIMED (US) 2009-03-10 US disclosed
US-20070105832-A1 Substituted azetidinones Cadrenal Therapeutics, Inc. 2007-05-10 US 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 (5 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-20070105832-A1 Substituted azetidinones F2R, CPA3, CFD PNMT 3501/4885AOC3 566/4885TAAR1 2859/4885
US-20150173359-A1 SUBSTITUTED FUSED PYRIMIDINONES AND DIHYDROPYRIMIDINONES DHPS, FDPS, DPYD PNMT 2619/4885AOC3 1458/4885TAAR1 1722/4885
US-20120157306-A1 Substituted Fused Pyrimidinones and Dihydropyrimidinones DHPS, FDPS, DPYD PNMT 2619/4885AOC3 1458/4885TAAR1 1722/4885
US-20100144698-A1 SUBSTITUTED AZETIDINONES F2R, CPA3, CFD PNMT 3501/4885AOC3 566/4885TAAR1 2859/4885
US-20090143351-A1 SUBSTITUTED AZETIDINONES F2R, CPA3, CFD PNMT 3501/4885AOC3 566/4885TAAR1 2859/4885

“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.