SCHEMBL10270089

SCHEMBL10270089

Cc1cccc(NC[C@H]2C[C@@H](C(C)C)C2)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.41
CRHR1 P34998 2/20 0.41
HSD17B10 Q99714 1/20 0.41
RAB9A P51151 2/20 0.40
NPC1 O15118 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
KMT2A Q03164 4/20 0.38
MEN1 O00255 3/20 0.38
TSHR P16473 2/20 0.38
GRM5 P41594 1/20 0.37
FDPS P14324 1/20 0.37
FDFT1 P37268 1/20 0.37
HPGD P15428 2/20 0.36
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
ALDH1A1 P00352 3/20 0.36
GAA P10253 1/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
CACNA1B Q00975 1/20 0.36

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
SCHEMBL1441524 0.82 NPSR1 (0.43) NPSR1CRHR1HSD17B10RAB9ANPC1
SCHEMBL1441523 0.82 NPSR1 (0.43) NPSR1CRHR1HSD17B10RAB9ANPC1
SCHEMBL17700718 0.81 CRHR1 (0.51) NPSR1CRHR1HSD17B10RAB9ANPC1
SCHEMBL23028601 0.73 CCNT1 (0.47) NPSR1CRHR1HSD17B10RAB9ANPC1
SCHEMBL17662610 0.71 NPSR1 (0.50) NPSR1CRHR1HSD17B10RAB9ANPC1
SCHEMBL24347521 0.69 NPSR1 (0.49) NPSR1CRHR1HSD17B10RAB9ANPC1
SCHEMBL2324870 0.68 GRM5 (0.57) NPSR1HSD17B10RAB9ANPC1L3MBTL1
SCHEMBL9949733 0.68 ALDH1A1 (0.50) CRHR1TSHRGRM5ALDH1A1GAA
SCHEMBL19122317 0.67 NPSR1 (0.46) NPSR1CRHR1HSD17B10RAB9ANPC1
SCHEMBL18886138 0.67 NPSR1 (0.53) NPSR1HSD17B10RAB9ANPC1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120165310-A1 ETHER DERIVATIVES OF BICYCLIC HETEROARYLS NOVARTIS AG (CH) 2012-06-28 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-20120165310-A1 ETHER DERIVATIVES OF BICYCLIC HETEROARYLS ETV6, CYP11B2, CYP11B1 NPSR1 3193/4885CRHR1 2360/4885HSD17B10 478/4885

“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.