SCHEMBL3030801

SCHEMBL3030801

CN1CCC(=C2c3ccccc3OCc3c(C(=O)NCCO)[c]sc32)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SETD7 Q8WTS6 2/20 0.41
TP53 P04637 6/20 0.40
THRB P10828 2/20 0.40
GLA P06280 1/20 0.40
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
HPGD P15428 1/20 0.38
MAPT P10636 6/20 0.38
ERAP1 Q9NZ08 1/20 0.38
POLB P06746 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
KCNH2 Q12809 1/20 0.37
MAPK1 P28482 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CYP3A4 P08684 1/20 0.35
HTT P42858 1/20 0.35
CYP2D6 P10635 1/20 0.35

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
SCHEMBL3042776 0.88 SETD7 (0.45) SETD7TP53GLAHPGDMAPT
Hydrochloric Acid SCHEMBL3040538 0.84 SETD7 (0.46) SETD7TP53KDM4EALDH1A1GAA
SCHEMBL3030798 0.81 TP53 (0.60) TP53THRBGLAKDM4EALDH1A1
SCHEMBL3132987 0.79 SETD7 (0.46) SETD7TP53THRBGLAKDM4E
SCHEMBL3138906 0.76 ROCK2 (0.45) SETD7KDM4EALDH1A1HPGDKCNH2
SCHEMBL3142605 0.76 KDM4E (0.45) SETD7TP53THRBGLAKDM4E
SCHEMBL3042775 0.71 ALDH1A1 (0.51) SETD7TP53THRBGLAKDM4E
SCHEMBL3034895 0.71 SETD7 (0.53) SETD7TP53ALDH1A1MAPTTDP1
Hydrochloric Acid SCHEMBL14693457 0.69 SETD7 (0.43) SETD7TP53THRBGLAKDM4E
SCHEMBL11600017 0.69 SETD7 (0.71) SETD7TP53ALDH1A1MAPTKCNH2

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 SETD7 1033/4885TP53 4621/4885THRB 2604/4885

“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.