SCHEMBL6834626

SCHEMBL6834626

[CH2]C1CCCCN1Cc1ccc(F)cc1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
GBA1 P04062 1/20 0.46
KDM4E B2RXH2 1/20 0.44
SPHK2 Q9NRA0 1/20 0.42
SPHK1 Q9NYA1 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
HRH3 Q9Y5N1 2/20 0.40
CACNA1G O43497 1/20 0.40
ACHE P22303 1/20 0.40

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
SCHEMBL4770783 0.95 GBA1 (0.47) ALDH1A1GBA1SPHK2SPHK1HRH3
SCHEMBL27854377 0.81 ALDH1A1 (0.47) ALDH1A1GBA1KDM4ESPHK2SPHK1
SCHEMBL3810383 0.80 ALDH1A1 (0.50) ALDH1A1GBA1KDM4ESPHK2SPHK1
SCHEMBL10462905 0.79 SPHK2 (0.50) ALDH1A1GBA1KDM4ESPHK2SPHK1
SCHEMBL16226580 0.79 L3MBTL1 (0.50) ALDH1A1GBA1KDM4ESMN1; SMN2
SCHEMBL8327242 0.78 SPHK2 (0.49) ALDH1A1GBA1KDM4ESPHK2SPHK1
SCHEMBL27701484 0.78 ALDH1A1 (0.44) ALDH1A1GBA1KDM4ESPHK2SPHK1
SCHEMBL9274297 0.77 CYP1A2 (0.47) ALDH1A1GBA1SPHK2SPHK1ACHE
SCHEMBL22341373 0.77 CYP1A2 (0.47) ALDH1A1GBA1SPHK2SPHK1ACHE
SCHEMBL4770791 0.75 ALDH1A1 (0.64) ALDH1A1KDM4ESMN1; SMN2HRH3ACHE

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-20040019052-A1 Pyrazolopyridines and pyrazolopyridazines as antidabetics SMITHKLINE BEECHAM P.L.C. (GB) 2004-01-29 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-20040019052-A1 Pyrazolopyridines and pyrazolopyridazines as antidabetics PDXK, GCK, IAPP ALDH1A1 708/4885GBA1 956/4885KDM4E 2403/4885

“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.