SCHEMBL12239191

SCHEMBL12239191

Nc1ccc(CN2CCCCC2)cc1F

nearest known ligand 0.72

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.72
HTT P42858 1/20 0.72
HRH3 Q9Y5N1 2/20 0.57
SMN1; SMN2 Q16637 4/20 0.56
POLB P06746 1/20 0.53
HRH4 Q9H3N8 1/20 0.52
KDM4E B2RXH2 5/20 0.50
PRMT6 Q96LA8 1/20 0.49
GAA P10253 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C19 P33261 1/20 0.47
CHKA P35790 1/20 0.47

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
SCHEMBL5519966 0.98 ALDH1A1 (0.69) ALDH1A1HTTHRH3SMN1; SMN2POLB
SCHEMBL13495500 0.84 ALDH1A1 (0.69) ALDH1A1HTTHRH3SMN1; SMN2POLB
SCHEMBL10240068 0.84 ALDH1A1 (0.63) ALDH1A1HTTHRH3SMN1; SMN2POLB
SCHEMBL13293320 0.84 ALDH1A1 (1.00) ALDH1A1HTTHRH3SMN1; SMN2POLB
SCHEMBL30309452 0.83 ALDH1A1 (0.50) ALDH1A1HTTSMN1; SMN2KDM4ECHKA
SCHEMBL22164021 0.83 LMNA (0.60) ALDH1A1HTTKDM4EPRMT6CHKA
SCHEMBL18491483 0.83 HRH3 (0.54) ALDH1A1HTTHRH3SMN1; SMN2KDM4E
SCHEMBL2960118 0.83 CXCR4 (0.50) ALDH1A1HTTHRH3TDP1
Hydrochloric Acid SCHEMBL7401709 0.82 ALDH1A1 (0.96) ALDH1A1HTTHRH3SMN1; SMN2POLB
SCHEMBL28366319 0.82 ALDH1A1 (0.60) ALDH1A1HTTHRH3SMN1; SMN2POLB

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-20110263557-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY IRM LLC (BM) 2011-10-27 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-20110263557-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY GPR119, GPR55, NR1H2 ALDH1A1 2341/4885HTT 2791/4885HRH3 250/4885

“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.