SCHEMBL3330728

SCHEMBL3330728

CCC(C)N1CCN(C(=O)[C@H]2CC[C@@H](Nc3cccc(Cl)c3)CC2)CC1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.47
UBE2M P61081 1/20 0.43
DCUN1D1 Q96GG9 1/20 0.43
ALDH1A1 P00352 2/20 0.43
MEN1 O00255 1/20 0.42
POLB P06746 1/20 0.42
KMT2A Q03164 1/20 0.42
CNR1 P21554 3/20 0.41
CNR2 P34972 3/20 0.41
ADRB2 P07550 1/20 0.41
TRPV1 Q8NER1 1/20 0.41
LMNA P02545 2/20 0.40
KDM4E B2RXH2 2/20 0.40
CYP3A4 P08684 1/20 0.40
CYP3A5 P20815 1/20 0.40

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
SCHEMBL3330724 1.00 EPHX2 (0.47) EPHX2UBE2MDCUN1D1ALDH1A1MEN1
SCHEMBL3325324 0.89 ALDH1A1 (0.46) EPHX2ALDH1A1MEN1KMT2ACNR1
SCHEMBL3326517 0.89 ALDH1A1 (0.46) EPHX2ALDH1A1MEN1KMT2ACNR1
SCHEMBL3325322 0.89 ALDH1A1 (0.46) EPHX2ALDH1A1MEN1KMT2ACNR1
SCHEMBL3329336 0.81 EPHX2 (0.43) EPHX2ALDH1A1LMNAKDM4ECYP3A4
SCHEMBL3329332 0.81 EPHX2 (0.43) EPHX2ALDH1A1LMNAKDM4ECYP3A4
SCHEMBL3321822 0.80 CCR2 (0.51) EPHX2ALDH1A1POLBADRB2LMNA
SCHEMBL3321818 0.80 CCR2 (0.51) EPHX2ALDH1A1POLBADRB2LMNA
SCHEMBL3327449 0.78 ALDH1A1 (0.42) EPHX2ALDH1A1MEN1KMT2ATRPV1
SCHEMBL3324458 0.78 ALDH1A1 (0.42) EPHX2ALDH1A1MEN1KMT2ATRPV1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100120769-A1 CYCLOHEXYL PIPERAZINYL METHANONE DERIVATIVES NETTEKOVEN MATTHIAS 2010-05-13 US disclosed
US-20070167436-A1 Cyclohexyl piperazinyl methanone derivatives HOFFMANN-LA ROCHE INC. 2007-07-19 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 (2 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-20100120769-A1 CYCLOHEXYL PIPERAZINYL METHANONE DERIVATIVES HRH3, HRH4, HRH1 EPHX2 3709/4885UBE2M 4773/4885DCUN1D1 4272/4885
US-20070167436-A1 Cyclohexyl piperazinyl methanone derivatives HRH3, HRH4, HRH1 EPHX2 3709/4885UBE2M 4773/4885DCUN1D1 4272/4885

“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.