SCHEMBL2255193

SCHEMBL2255193

COc1cc(C)c(-c2c(C)nn3c(C)coc23)cn1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 4/20 0.39
NNMT P40261 1/20 0.37
TSHR P16473 1/20 0.31
ORAI1 Q96D31 1/20 0.31
PIK3CA P42336 1/20 0.31
POLQ O75417 1/20 0.31
CYP2A6 P11509 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
SCHEMBL2256332 0.76 TACR2 (0.45) CRHR1
SCHEMBL16475240 0.65 NNMT (0.43) CRHR1NNMTPIK3CAPOLQ
SCHEMBL2259585 0.65 MAPT (0.31)
SCHEMBL2255190 0.62 NNMT (0.38) CRHR1NNMTORAI1POLQCYP2A6
SCHEMBL20912237 0.62 NNMT (0.43) CRHR1NNMTCYP2A6
SCHEMBL2256730 0.62 MAPT (0.48) CRHR1
SCHEMBL2614474 0.61 NNMT (0.55) NNMTPIK3CAPOLQCYP2A6
SCHEMBL16475095 0.60 NNMT (0.47) NNMTORAI1CYP2A6
SCHEMBL5183305 0.59 DGAT1 (0.49) NNMTTSHRCYP2A6
SCHEMBL1423802 0.59 LRRK2 (0.49) CRHR1NNMTPIK3CA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7994203-B2 Organic compounds NOVARTIS AG (CH) 2011-08-09 US disclosed
US-20100035874-A1 Organic compounds NOVARTIS AG (CH) 2010-02-11 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 (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-20100035874-A1 Organic compounds CRH, CRHR1, CRHR2 CRHR1 2/4885NNMT 3988/4885TSHR 297/4885

“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.