SCHEMBL2793009

SCHEMBL2793009

CC(=O)N1CCC(C(Cl)c2ccccc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.54
CYP3A4 P08684 3/20 0.48
CYP2D6 P10635 3/20 0.48
CYP2C9 P11712 2/20 0.48
ALDH1A1 P00352 2/20 0.48
CHRM3 P20309 3/20 0.43
USP2 O75604 2/20 0.43
CYP1A2 P05177 1/20 0.43
TSHR P16473 1/20 0.43
CYP2C19 P33261 1/20 0.43
KDM4E B2RXH2 2/20 0.42
BRD4 O60885 1/20 0.42
POLB P06746 1/20 0.42
CREBBP Q92793 1/20 0.42
RIPK1 Q13546 2/20 0.41

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
SCHEMBL25057228 0.84 KMT2A (0.57) KMT2ACYP3A4CYP2D6CYP2C9ALDH1A1
SCHEMBL22773361 0.80 GPR119 (0.57) KMT2AALDH1A1KDM4E
SCHEMBL3393165 0.78 CHRM2 (0.53) CYP2D6CHRM3TSHRCYP2C19
SCHEMBL2793000 0.76 SMN1; SMN2 (0.64) KMT2ACYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL2791280 0.76 CACNA2D1 (0.66) KMT2ACYP3A4CYP2D6CYP2C9ALDH1A1
SCHEMBL3722915 0.75 IDO1 (0.48) CYP2D6TSHR
SCHEMBL13108350 0.75 HSD11B1 (0.60) KMT2AALDH1A1KDM4E
SCHEMBL9216384 0.74 KMT2A (0.53) KMT2ACYP3A4CYP2D6CYP2C9ALDH1A1
SCHEMBL7816946 0.74 ACHE (0.43) KMT2ACYP3A4CYP2D6CYP2C9ALDH1A1
SCHEMBL9255562 0.74 ATM (0.54) KMT2ACYP2D6ALDH1A1POLB

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
US-20100168103-A1 DIARYL PIPERIDINE COMPOUNDS AS CALCIUM CHANNEL BLOCKERS NEUROMED PHARMACEUTICALS LTD. (CA) 2010-07-01 US disclosed
US-20100168103-A1 DIARYL PIPERIDINE COMPOUNDS AS CALCIUM CHANNEL BLOCKERS NEUROMED PHARMACEUTICALS LTD. (CA) 2010-07-01 US disclosed
US-20100168103-A1 DIARYL PIPERIDINE COMPOUNDS AS CALCIUM CHANNEL BLOCKERS NEUROMED PHARMACEUTICALS LTD. (CA) 2010-07-01 US disclosed
WO-2008031227-A1 DIARYL PIPERIDINE COMPOUNDS AS CALCIUM CHANNEL BLOCKERS NEUROMED PHARMACEUTICALS LTD. (CA) 2008-03-20 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-20100168103-A1 DIARYL PIPERIDINE COMPOUNDS AS CALCIUM CHANNEL BLOCKERS CACNA1C, CACNA1B, ORAI1 KMT2A 4372/4885CYP3A4 3031/4885CYP2D6 2457/4885

“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.