SCHEMBL3030798

SCHEMBL3030798

CN1CCC(=C2c3ccccc3OCc3cc(C(=O)NCCO)sc32)CC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 8/20 0.60
THRB P10828 3/20 0.60
GLA P06280 3/20 0.60
KDM4E B2RXH2 4/20 0.59
ALDH1A1 P00352 3/20 0.59
GAA P10253 3/20 0.59
HPGD P15428 3/20 0.59
MAPT P10636 12/20 0.56
POLB P06746 5/20 0.56
TDP1 Q9NUW8 3/20 0.56
ERAP1 Q9NZ08 1/20 0.56
BLM P54132 1/20 0.54
MAPK1 P28482 2/20 0.52
NPSR1 Q6W5P4 1/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
CASP1 P29466 2/20 0.52
HTT P42858 2/20 0.52
CASP7 P55210 2/20 0.52
HSD17B10 Q99714 2/20 0.52
LMNA P02545 1/20 0.52

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
SCHEMBL3042775 0.88 ALDH1A1 (0.51) TP53THRBGLAKDM4EALDH1A1
SCHEMBL3046158 0.84 ALDH1A1 (0.67) TP53THRBGLAKDM4EALDH1A1
Hydrochloric Acid SCHEMBL3040531 0.83 ALDH1A1 (0.65) TP53THRBGLAKDM4EALDH1A1
SCHEMBL3132987 0.81 SETD7 (0.46) TP53THRBGLAKDM4EALDH1A1
SCHEMBL3030801 0.81 SETD7 (0.41) TP53THRBGLAKDM4EALDH1A1
Hydrochloric Acid SCHEMBL14693456 0.80 MAPT (0.58) TP53THRBGLAKDM4EALDH1A1
SCHEMBL3046587 0.79 ALDH1A1 (0.53) TP53THRBGLAKDM4EALDH1A1
SCHEMBL3046185 0.79 ALDH1A1 (0.46) TP53THRBGLAKDM4EALDH1A1
SCHEMBL3138906 0.78 ROCK2 (0.45) KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL3142605 0.78 KDM4E (0.45) TP53THRBGLAKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2243778-B1 PIPERIDINE DERIVATIVE NIPPON ZOKI PHARMACEUTICAL CO (JP) 2014-10-29 EP disclosed
US-8377967-B2 Piperidine derivative NIPPON ZOKI PHARMACEUTICAL CO., LTD. (JP) 2013-02-19 US disclosed
US-20100331365-A1 PIPERIDINE DERIVATIVE NIPPON ZOKI PHARMACEUTICAL CO., LTD. (JP) 2010-12-30 US disclosed
EP-2243778-A1 PIPERIDINE DERIVATIVE Nippon Zoki Pharmaceutical Co., Ltd. (JP) 2010-10-27 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 (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-20100331365-A1 PIPERIDINE DERIVATIVE HRH4, HRH3, HRH2 TP53 4621/4885THRB 2604/4885GLA 4881/4885

“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.