SCHEMBL2445894

SCHEMBL2445894

COc1ccc(-c2[c]nn(C)c2)nc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.36
RXFP1 Q9HBX9 1/20 0.35
RAB9A P51151 5/20 0.34
NPC1 O15118 4/20 0.34
CASP3 P42574 2/20 0.34
SENP7 Q9BQF6 2/20 0.34
TNKS O95271 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
MAPT P10636 2/20 0.33
CBFB Q13951 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PIM1 P11309 1/20 0.33
FYN P06241 1/20 0.33
SENP8 Q96LD8 1/20 0.33
SENP6 Q9GZR1 1/20 0.33
HAO1 Q9UJM8 1/20 0.33
KDM4E B2RXH2 2/20 0.32

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
SCHEMBL2443979 0.80 CCR1 (0.50) GRM5CYP3A4CYP11B1
SCHEMBL30335253 0.74 CA12 (0.50) RXFP1RAB9ANPC1CASP3SENP7
SCHEMBL3147993 0.74 CA12 (0.50) RXFP1RAB9ANPC1CASP3SENP7
SCHEMBL12923974 0.72 PIM1 (0.48) GRM5MAPTPIM1FYNCYP11B1
SCHEMBL20086109 0.71 CYP19A1 (0.45) RXFP1RAB9ANPC1CASP3SENP7
SCHEMBL2443175 0.69 NPC1 (0.38) RXFP1RAB9ANPC1CASP3SENP7
SCHEMBL20086113 0.69 NPC1 (0.40) GRM5RXFP1RAB9ANPC1CASP3
SCHEMBL19207050 0.68 HCRTR1 (0.45) RXFP1SMN1; SMN2GAA
Hydrochloric Acid SCHEMBL28976176 0.68 NPC1 (0.39) GRM5RAB9ANPC1CASP3SENP7
Hydrochloric Acid SCHEMBL29911798 0.68 NPC1 (0.39) GRM5RAB9ANPC1CASP3SENP7

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-20110230461-A1 2,3-DIHYDRO-1H-INDEN-1-YL-2,7-DIAZASPIRO[3.5] NONANE DERIVATIVES PFIZER INC. 2011-09-22 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-20110230461-A1 2,3-DIHYDRO-1H-INDEN-1-YL-2,7-DIAZASPIRO[3.5] NONANE DERIVATIVES GIPR, GLP1R, GHSR GRM5 117/4885RXFP1 23/4885RAB9A 1030/4885

“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.