SCHEMBL4547158

SCHEMBL4547158

CNN(C)c1cccc(OC(F)(F)F)c1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CETP P11597 8/20 0.44
GRM2 Q14416 2/20 0.41
PRMT1 Q99873 2/20 0.41
HDAC8 Q9BY41 1/20 0.40
CARM1 Q86X55 2/20 0.37
PRMT6 Q96LA8 2/20 0.37
SLC6A4 P31645 1/20 0.37

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
SCHEMBL4120095 0.79 CETP (0.46) CETPGRM2PRMT1HDAC8
SCHEMBL8979323 0.79 MTNR1A (0.48) SLC6A4
SCHEMBL5537411 0.75 CETP (0.46) CETPGRM2PRMT1
SCHEMBL15754962 0.75 CETP (0.43) CETPGRM2PRMT1HDAC8
SCHEMBL28621050 0.74 CETP (0.47) CETPGRM2
SCHEMBL8979325 0.74 MEN1 (0.45) CETP
SCHEMBL3147185 0.73 GPR3 (0.50) CETP
SCHEMBL5541938 0.73 CETP (0.44) CETPGRM2PRMT1
SCHEMBL27972448 0.72 CETP (0.43) CETPGRM2HDAC8
SCHEMBL23060644 0.72 CRHBP (0.48) CETPGRM2HDAC8

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-8304556-B2 Thiazolyl-dihydro-indazoles BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-11-06 US disclosed
US-8188097-B2 Pyrazolo[1,5-A]pyrimidine compounds MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-05-29 US disclosed
US-8188097-B2 Pyrazolo[1,5-A]pyrimidine compounds MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-05-29 US disclosed
US-20120108567-A1 Thiazolyl-Dihydro-Indazoles BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-05-03 US disclosed
US-20110118208-A1 Thiazolyl-Dihydro-Indazoles BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-05-19 US disclosed
US-20090069298-A1 Pyrazolo[1,5-A]Pyrimidine Compounds TANABE SEIYAKU CO., LTD. (JP) 2009-03-12 US disclosed
US-20090069298-A1 Pyrazolo[1,5-A]Pyrimidine Compounds TANABE SEIYAKU CO., LTD. (JP) 2009-03-12 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 (3 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-20120108567-A1 Thiazolyl-Dihydro-Indazoles MKI67, CYP11B1, IGF1R CETP 2911/4885GRM2 3595/4885PRMT1 256/4885
US-20090069298-A1 Pyrazolo[1,5-A]Pyrimidine Compounds RECQL, QTRT1, DPYD CETP 4839/4885GRM2 3304/4885PRMT1 37/4885
US-20110118208-A1 Thiazolyl-Dihydro-Indazoles MKI67, CYP11B1, IGF1R CETP 2911/4885GRM2 3595/4885PRMT1 256/4885

“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.