SCHEMBL16709609

SCHEMBL16709609

NC(=O)NC1CCc2c(Cl)cccc21

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 8/20 0.47
TAS1R1 Q7RTX1 8/20 0.47
TAS1R2 Q8TE23 7/20 0.47
TRPM8 Q7Z2W7 1/20 0.44
PDE10A Q9Y233 1/20 0.43
ALDH1A1 P00352 1/20 0.43
POLB P06746 1/20 0.41
P2RX7 Q99572 1/20 0.41
CFD P00746 1/20 0.39
MAPT P10636 1/20 0.39
ALOX15 P16050 1/20 0.39
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
KMT2A Q03164 1/20 0.39
IDO1 P14902 1/20 0.39

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
SCHEMBL4858868 0.82 ALDH1A1 (0.57) TAS1R3TAS1R1TAS1R2PDE10AALDH1A1
SCHEMBL16709695 0.82 TRPV1 (0.52) TAS1R3TAS1R1TAS1R2PDE10AIDO1
SCHEMBL4866589 0.79 TAS1R3 (0.46) TAS1R3TAS1R1TAS1R2PDE10AALDH1A1
SCHEMBL16709606 0.78 TRPV1 (0.54) TAS1R3TAS1R1TAS1R2ALDH1A1P2RX7
SCHEMBL23871584 0.78 DRD2 (0.45) TAS1R3TAS1R1TAS1R2PDE10AKMT2A
SCHEMBL4019187 0.77 EPHX2 (0.46) TAS1R3TAS1R1TAS1R2PDE10AALDH1A1
SCHEMBL11775638 0.77 TAS1R3 (0.57) TAS1R3TAS1R1TAS1R2ALDH1A1POLB
SCHEMBL31715372 0.75 P2RX7 (0.46) TAS1R3TAS1R1TAS1R2P2RX7
SCHEMBL11030125 0.75 FFAR1 (0.42) TAS1R3TAS1R1TAS1R2PDE10APOLB
SCHEMBL2073072 0.74 CA1 (0.57) TAS1R3TAS1R1TAS1R2ALDH1A1P2RX7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9751843-B2 Substituted uracils and use thereof BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-09-05 US disclosed
US-9751843-B2 Substituted uracils and use thereof BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-09-05 US disclosed
US-9751843-B2 Substituted uracils and use thereof BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-09-05 US disclosed
US-20160297771-A1 SUBSTITUTED URACILS AND USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-10-13 US disclosed
US-20160297771-A1 SUBSTITUTED URACILS AND USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-10-13 US disclosed
US-20160297771-A1 SUBSTITUTED URACILS AND USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-10-13 US disclosed
WO-2015067630-A1 SUBSTITUTED URACILS AND USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-05-14 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 (1 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-20160297771-A1 SUBSTITUTED URACILS AND USE THEREOF UNG, UMPS, TYMP TAS1R3 3145/4885TAS1R1 2913/4885TAS1R2 3147/4885

“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.