SCHEMBL3380308

SCHEMBL3380308

CC(Cl)NC(C)Cl.CC1CCC(C(C)C)C(OC(N)=O)C1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 3/20 0.53
ALDH1A1 P00352 7/20 0.49
HPGD P15428 2/20 0.49
CYP19A1 P11511 2/20 0.45
TRPA1 O75762 2/20 0.42
TRPM8 Q7Z2W7 2/20 0.42
MAPT P10636 2/20 0.41
KDM4E B2RXH2 1/20 0.41
GAA P10253 1/20 0.41
MAPK1 P28482 1/20 0.41
LMNA P02545 2/20 0.40
TSHR P16473 2/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
USP2 O75604 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
P2RX4 Q99571 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
SCHEMBL2125537 0.90 EPHX1 (0.58) EPHX1ALDH1A1HPGDCYP19A1TRPA1
SCHEMBL5495940 0.90 EPHX1 (0.58) EPHX1ALDH1A1HPGDCYP19A1TRPA1
SCHEMBL584831 0.90 EPHX1 (0.58) EPHX1ALDH1A1HPGDCYP19A1TRPA1
SCHEMBL27914203 0.90 EPHX1 (0.58) EPHX1ALDH1A1HPGDCYP19A1TRPA1
SCHEMBL10199136 0.90 EPHX1 (0.58) EPHX1ALDH1A1HPGDCYP19A1TRPA1
Nornitrogen Mustard SCHEMBL3380310 0.84 EPHX1 (0.51) EPHX1ALDH1A1HPGDCYP19A1TRPM8
SCHEMBL24026949 0.81 EPHX1 (0.49) EPHX1ALDH1A1HPGDCYP19A1TRPA1
SCHEMBL18629605 0.81 EPHX1 (0.49) EPHX1ALDH1A1HPGDCYP19A1TRPA1
SCHEMBL5125211 0.80 EPHX1 (0.66) EPHX1ALDH1A1HPGDCYP19A1TRPA1
SCHEMBL1075939 0.80 EPHX1 (0.66) EPHX1ALDH1A1HPGDCYP19A1TRPA1

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-20100145049-A1 PROCESS FOR MAKING N-(DIPHENYLMETHYL)PIPERAZINES SYNTHON BV (NL) 2010-06-10 US disclosed
WO-2010057515-A1 LEVOCETIRIZINE BY MENTHYL INTERMEDIATE SYNTHON B.V. (NL) 2010-05-27 WO 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-20100145049-A1 PROCESS FOR MAKING N-(DIPHENYLMETHYL)PIPERAZINES IL5, PRMT5, IL15 EPHX1 4717/4885ALDH1A1 2441/4885HPGD 2795/4885

“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.