SCHEMBL9906308

SCHEMBL9906308

O=C(NCc1ccco1)C1C[C@H]2CNC[C@H]2C1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.57
KMT2A Q03164 4/20 0.57
HPGD P15428 2/20 0.57
MEN1 O00255 1/20 0.57
CYP2C19 P33261 1/20 0.57
TDP1 Q9NUW8 2/20 0.57
L3MBTL1 Q9Y468 2/20 0.57
CHRNB2 P17787 1/20 0.56
CHRNB4 P30926 1/20 0.56
CHRNA3 P32297 1/20 0.56
CHRNA7 P36544 1/20 0.56
CHRNA4 P43681 1/20 0.56
RECQL P46063 1/20 0.54
HSD17B10 Q99714 3/20 0.53
MAPK1 P28482 2/20 0.53
ALOX15 P16050 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
POLB P06746 3/20 0.52
KDM4E B2RXH2 1/20 0.52
TP53 P04637 1/20 0.52

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
SCHEMBL2994259 1.00 ALDH1A1 (0.57) ALDH1A1KMT2AHPGDMEN1CYP2C19
SCHEMBL4473275 0.88 ALDH1A1 (0.60) ALDH1A1KMT2AHPGDMEN1CYP2C19
Hydrochloric Acid SCHEMBL21640577 0.87 ALDH1A1 (0.58) ALDH1A1KMT2AHPGDMEN1CYP2C19
SCHEMBL5123195 0.82 TDP1 (0.69) ALDH1A1KMT2AHPGDMEN1CYP2C19
SCHEMBL18977797 0.82 TDP1 (0.62) ALDH1A1KMT2AHPGDMEN1CYP2C19
SCHEMBL5119694 0.80 TDP1 (0.66) ALDH1A1KMT2AHPGDMEN1CYP2C19
SCHEMBL5124500 0.80 TDP1 (0.66) ALDH1A1KMT2AHPGDMEN1CYP2C19
SCHEMBL5190400 0.78 KMT2A (0.54) ALDH1A1KMT2AHPGDMEN1CYP2C19
SCHEMBL5129675 0.78 TDP1 (0.64) ALDH1A1KMT2AHPGDMEN1CYP2C19
SCHEMBL5418744 0.78 TDP1 (0.64) ALDH1A1KMT2AHPGDMEN1CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8198296-B2 Sub-type selective azabicycloalkane derivatives TARGACEPT, INC. (US) 2012-06-12 US disclosed
US-8198296-B2 Sub-type selective azabicycloalkane derivatives TARGACEPT, INC. (US) 2012-06-12 US disclosed
US-20100173968-A1 SUB-TYPE SELECTIVE AZABICYCLOALKANE DERIVATIVES TARGACEPT, INC. (US) 2010-07-08 US disclosed
US-20100173968-A1 SUB-TYPE SELECTIVE AZABICYCLOALKANE DERIVATIVES TARGACEPT, INC. (US) 2010-07-08 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-20100173968-A1 SUB-TYPE SELECTIVE AZABICYCLOALKANE DERIVATIVES CHRNB2, CHRNB4, CHRNA4 ALDH1A1 991/4885KMT2A 1990/4885HPGD 2045/4885

“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.