SCHEMBL10102891

SCHEMBL10102891

CB(O)n1ccc2cc([N+](=O)[O-])ccc21

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.46
CYP19A1 P11511 1/20 0.43
MAPT P10636 4/20 0.40
CYP1A2 P05177 1/20 0.40
GLS O94925 1/20 0.39
PLG P00747 1/20 0.39
PLAU P00749 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TSHR P16473 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
KRAS P01116 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
LMNA P02545 1/20 0.38
ERN1 O75460 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
SCHEMBL1098394 0.76 CYP19A1 (0.51) SLC6A2CYP19A1MAPTCYP1A2GLS
SCHEMBL5176754 0.74 NOTUM (0.51) SLC6A2CYP19A1MAPTCYP1A2ALDH1A1
SCHEMBL29642981 0.74 NOTUM (0.51) SLC6A2CYP19A1MAPTCYP1A2ALDH1A1
SCHEMBL28030880 0.72 SLC6A2 (0.51) SLC6A2CYP19A1MAPTCYP1A2GLS
SCHEMBL10102889 0.72 PRKCI (0.55) MAPTPLAUALDH1A1TDP1LMNA
SCHEMBL28281973 0.72 SLC6A2 (0.51) SLC6A2CYP19A1MAPTCYP1A2GLS
SCHEMBL3224421 0.72 SLC6A2 (0.51) SLC6A2CYP19A1MAPTCYP1A2GLS
SCHEMBL28142780 0.72 SLC6A2 (0.51) SLC6A2CYP19A1MAPTCYP1A2GLS
SCHEMBL3218015 0.72 SLC6A2 (0.51) SLC6A2CYP19A1MAPTCYP1A2GLS
SCHEMBL415582 0.72 HTR2A (0.44) SLC6A2KRAS

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-8093285-B2 Aminopiperidinyl derivatives and uses thereof ROCHE PALO ALTO LLC (US) 2012-01-10 US disclosed
US-20090247568-A1 AMINOPIPERIDINYL DERIVATIVES AND USES THEREOF ROCHE PALO ALTO LLC 2009-10-01 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-20090247568-A1 AMINOPIPERIDINYL DERIVATIVES AND USES THEREOF MAOB, ADORA2B, HTR1B SLC6A2 8/4885CYP19A1 502/4885MAPT 2418/4885

“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.