SCHEMBL3744027

SCHEMBL3744027

COCCCOc1ccc2c(c1)CCCN2

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.64
PPARG P37231 3/20 0.46
PPARD Q03181 3/20 0.46
PPARA Q07869 3/20 0.46
KDM4E B2RXH2 2/20 0.46
MAPT P10636 2/20 0.46
GAA P10253 2/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
TP53 P04637 1/20 0.46
THRB P10828 1/20 0.46
ALOX15 P16050 1/20 0.46
CASP1 P29466 1/20 0.46
HTT P42858 1/20 0.46
CASP7 P55210 1/20 0.46
HSD17B10 Q99714 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 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
Hydrochloric Acid SCHEMBL3704392 0.99 HRH3 (0.63) HRH3PPARGPPARDPPARAKDM4E
SCHEMBL10911483 0.82 HRH3 (0.59) HRH3PPARGPPARDPPARAKDM4E
SCHEMBL9836860 0.81 HRH3 (0.52) HRH3PPARGPPARDPPARAKDM4E
SCHEMBL5637627 0.80 HRH3 (0.58) HRH3KDM4EMAPTGAAALDH1A1
SCHEMBL665048 0.80 CA12 (0.53) HRH3KDM4EMAPTGAAALDH1A1
SCHEMBL13281625 0.80 HRH3 (0.57) HRH3PPARGPPARDPPARAKDM4E
SCHEMBL14316220 0.79 HRH3 (0.64) HRH3MAPTGAAALDH1A1CA1
Hydrochloric Acid SCHEMBL8021718 0.79 KDM4E (0.53) HRH3KDM4EMAPTGAAALDH1A1
SCHEMBL27829035 0.79 SMN1; SMN2 (0.60) HRH3PPARGPPARDPPARAKDM4E
SCHEMBL5638386 0.78 HRH3 (0.53) HRH3APPMAOAMAOB

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-20100280024-A1 RENIN INHIBITORS CADILA HEALTHCARE LIMITED (IN) 2010-11-04 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-20100280024-A1 RENIN INHIBITORS REN, ACE, AGTR1 HRH3 2747/4885PPARG 3699/4885PPARD 2609/4885

“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.