SCHEMBL12445261

SCHEMBL12445261

O=C1CCCN1c1ccc(OC2CC2)cc1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.53
AKR1C3 P42330 9/20 0.48
HPGD P15428 3/20 0.48
NPC1 O15118 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
TSHR P16473 2/20 0.48
RAB9A P51151 2/20 0.48
TP53 P04637 1/20 0.48
MAPK1 P28482 1/20 0.48
GPR119 Q8TDV5 1/20 0.46
KDM1A O60341 1/20 0.44

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
SCHEMBL23410275 0.90 HRH3 (0.48) ALDH1A1AKR1C3HPGDNPC1SMN1; SMN2
SCHEMBL2926332 0.80 HRH3 (0.60)
SCHEMBL2926334 0.80 HRH3 (0.60)
SCHEMBL23410203 0.80 GPR119 (0.56) ALDH1A1GPR119KDM1A
SCHEMBL11142367 0.80 ALDH1A1 (0.74) ALDH1A1AKR1C3HPGDNPC1SMN1; SMN2
SCHEMBL2923294 0.80 HRH3 (0.54) HPGD
SCHEMBL2923295 0.80 HRH3 (0.54) HPGD
SCHEMBL609306 0.78 TP53 (0.59) ALDH1A1NPC1SMN1; SMN2TP53
SCHEMBL29930365 0.78 TP53 (0.59) ALDH1A1NPC1SMN1; SMN2TP53
SCHEMBL8121115 0.78 ALDH1A1 (0.57) ALDH1A1AKR1C3HPGDNPC1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130053372-A1 5-HT RECEPTOR MODULATORS CAMBRIDGE ENTERPRISE LIMITED 2013-02-28 US disclosed
US-20130053372-A1 5-HT RECEPTOR MODULATORS CAMBRIDGE ENTERPRISE LIMITED 2013-02-28 US disclosed
WO-2011098776-A1 5-HT RECEPTOR MODULATORS CAMBRIDGE ENTERPRISE LIMITED (GB) 2011-08-18 WO 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-20130053372-A1 5-HT RECEPTOR MODULATORS HTR1B, HTR5A, HTR1A ALDH1A1 987/4885AKR1C3 881/4885HPGD 643/4885

“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.