SCHEMBL3728561

SCHEMBL3728561

[c]1noc(C2CCCC2)n1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TDO2 P48775 2/20 0.35
ALDH1A1 P00352 2/20 0.34
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.34
CYP2C19 P33261 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
NPC1 O15118 3/20 0.32
RAB9A P51151 3/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
PPARA Q07869 1/20 0.30
TP53 P04637 1/20 0.30
MAPK1 P28482 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL20553989 0.98 ALDH1A1 (0.37) TDO2ALDH1A1LMNAPOLBCYP2C19
SCHEMBL20554254 0.98 ALDH1A1 (0.37) TDO2ALDH1A1LMNAPOLBCYP2C19
SCHEMBL3726887 0.98 ALDH1A1 (0.37) TDO2ALDH1A1LMNAPOLBCYP2C19
SCHEMBL20554022 0.95
SCHEMBL1431256 0.91
SCHEMBL20561676 0.77
SCHEMBL24623064 0.60 CYP2C19 (0.55) ALDH1A1LMNAPOLBCYP2C19NPC1
SCHEMBL9879297 0.60 ALDH1A1 (0.39) ALDH1A1LMNAPOLBCYP2C19CYP1A2
SCHEMBL14305108 0.59 CYP2C19 (0.53) ALDH1A1LMNAPOLBCYP2C19NPC1
SCHEMBL8628112 0.58 ALDH1A1 (0.37) ALDH1A1LMNAPOLBCYP2C19CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9487494-B2 Cyclic hydrocarbon compounds for the treatment of diseases LEO PHARMA A/S (DK) 2016-11-08 US claimed
US-20100317582-A1 NOVEL CYCLIC HYDROCARBON COMPOUNDS FOR THE TREATMENT OF DISEASES LEO PHARMA A/S (DK) 2010-12-16 US claimed
EP-2234961-A2 NOVEL CYCLIC HYDROCARBON COMPOUNDS FOR THE TREATMENT OF DISEASES LEO PHARMA A/S (DK) 2010-10-06 EP claimed
WO-2009065406-A2 NOVEL CYCLIC HYDROCARBON COMPOUNDS FOR THE TREATMENT OF DISEASES LEO PHARMA A/S (DK) 2009-05-28 WO claimed
EP-4023640-A1 PHENYLIMIDAZOLE COMPOUND Otsuka Pharmaceutical Factory, Inc. (JP) 2022-07-06 EP disclosed
CN-113200962-A Phenylimidazole compounds 株式会社大塚制药工场 2021-08-03 CN disclosed
CN-108430977-B Phenylimidazole compounds 株式会社大塚制药工场 2021-06-08 CN disclosed
US-10570117-B2 Phenylimidazole compound OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 2020-02-25 US disclosed
US-20180354930-A1 PHENYLIMIDAZOLE COMPOUND OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 2018-12-13 US disclosed
EP-3401310-A1 PHENYLIMIDAZOLE COMPOUND Otsuka Pharmaceutical Factory, Inc. (JP) 2018-11-14 EP 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 (3 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-10570117-B2 Phenylimidazole compound LPL, PNLIP, LIPC TDO2 3504/4885ALDH1A1 263/4885LMNA 1063/4885
US-20100317582-A1 NOVEL CYCLIC HYDROCARBON COMPOUNDS FOR THE TREATMENT OF DISEASES ARNT, AHR, CYP27A1 TDO2 973/4885ALDH1A1 1743/4885LMNA 1156/4885
US-20180354930-A1 PHENYLIMIDAZOLE COMPOUND PNLIP, PLIN1, HDAC11 TDO2 4641/4885ALDH1A1 457/4885LMNA 3128/4885

“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.