SCHEMBL14938017

SCHEMBL14938017

Cn1nccc1NC(=O)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OXTR P30559 1/20 0.57
AVPR1A P37288 1/20 0.57
TRPV1 Q8NER1 2/20 0.50
MCHR1 Q99705 2/20 0.47
PTGS1 P23219 2/20 0.47
HPGDS O60760 1/20 0.46
GRM5 P41594 1/20 0.46
HTR2A P28223 1/20 0.46
HTR2C P28335 1/20 0.46
SMO Q99835 1/20 0.46
KMT2A Q03164 1/20 0.46
DEGS1 O15121 1/20 0.46
RORC P51449 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL3767339 0.83 RAB9A (0.51) HPGDSKMT2ASMN1; SMN2
SCHEMBL13213725 0.82 POLB (0.50) PTGS1HPGDSKMT2ASMN1; SMN2
SCHEMBL396727 0.81 POLB (0.53) HPGDSKMT2A
SCHEMBL14699724 0.81 KMT2A (0.54) HPGDSKMT2ASMN1; SMN2
SCHEMBL14937486 0.78 TLR7 (0.51) OXTRAVPR1AKMT2ASMN1; SMN2
SCHEMBL28401432 0.78 GRM5 (0.51) TRPV1PTGS1GRM5KMT2A
SCHEMBL6331796 0.78 HPGDS (0.46) OXTRAVPR1AHPGDSKMT2ASMN1; SMN2
SCHEMBL22246762 0.78 GRM5 (0.63) PTGS1GRM5KMT2A
SCHEMBL8016742 0.76 KMT2A (0.51) OXTRAVPR1AHPGDSKMT2ASMN1; SMN2
SCHEMBL4035180 0.76 MAPK14 (0.56) HPGDSKMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8642626-B2 Ethinyl-pyrazole derivative TAISHO PHARMACEUTICAL CO., LTD. (JP) 2014-02-04 US disclosed
EP-2604602-A1 HETEROARYL-PYRAZOLE DERIVATIVE Taisho Pharmaceutical Co., Ltd. (JP) 2013-06-19 EP disclosed
EP-2599775-A1 ETHINYL-PYRAZOLE DERIVATIVE Taisho Pharmaceutical Co., Ltd. (JP) 2013-06-05 EP disclosed
US-20130137865-A1 HETEROARYL-PYRAZOLE DERIVATIVE TAISHO PHARMACEUTICAL CO., LTD. (JP) 2013-05-30 US disclosed
US-20130123500-A1 ETHINYL-PYRAZOLE DERIVATIVE TAISHO PHARMACEUTICAL CO., LTD (JP) 2013-05-16 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 (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-20130137865-A1 HETEROARYL-PYRAZOLE DERIVATIVE GRIN2C, GRIN2B, GRIN3A OXTR 114/4885AVPR1A 919/4885TRPV1 88/4885
US-20130123500-A1 ETHINYL-PYRAZOLE DERIVATIVE GABRE, GRIN3A, GRIK5 OXTR 112/4885AVPR1A 679/4885TRPV1 546/4885

“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.