SCHEMBL2793889

SCHEMBL2793889

CN1CCN(C(=O)C2CCN(Cc3ccccc3)CC2)CC1

nearest known ligand 0.77

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.77
▸ TSHR P16473 3/20 0.77
▸ MEN1 O00255 2/20 0.77
▸ ALDH1A1 P00352 3/20 0.69
▸ POLB P06746 1/20 0.64
▸ CYP1A2 P05177 1/20 0.63
▸ CYP2C9 P11712 1/20 0.63
▸ SMN1; SMN2 Q16637 3/20 0.62
▸ KDM4E B2RXH2 2/20 0.62
▸ TP53 P04637 1/20 0.61
▸ LMNA P02545 1/20 0.61
▸ MAPT P10636 1/20 0.60
▸ HTT P42858 1/20 0.60
▸ NPSR1 Q6W5P4 1/20 0.60
▸ CYP2C19 P33261 1/20 0.60
▸ ALOX15 P16050 1/20 0.60
▸ MAPK1 P28482 1/20 0.60
▸ MC4R P32245 1/20 0.59

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
SCHEMBL8916029 0.94 ALDH1A1 (0.73) KMT2ATSHRMEN1ALDH1A1POLB
SCHEMBL8920814 0.88 KMT2A (0.75) KMT2ATSHRMEN1ALDH1A1POLB
SCHEMBL12642484 0.88 L3MBTL1 (0.60) KMT2ATSHRMEN1ALDH1A1POLB
SCHEMBL5080239 0.87 KMT2A (0.78) KMT2ATSHRMEN1ALDH1A1POLB
SCHEMBL2793856 0.85 KMT2A (0.71) KMT2ATSHRMEN1ALDH1A1POLB
SCHEMBL9634813 0.84 MEN1 (0.74) KMT2ATSHRMEN1ALDH1A1POLB
SCHEMBL14456748 0.84 KMT2A (0.73) KMT2ATSHRMEN1ALDH1A1POLB
Hydrochloric Acid SCHEMBL9634332 0.83 MEN1 (0.72) KMT2ATSHRMEN1ALDH1A1POLB
SCHEMBL18828716 0.83 KMT2A (0.77) KMT2ATSHRMEN1ALDH1A1POLB
SCHEMBL10947749 0.83 KMT2A (0.76) KMT2ATSHRMEN1ALDH1A1POLB

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 5 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
EP-2061780-A1 DIARYL PIPERIDINE COMPOUNDS AS CALCIUM CHANNEL BLOCKERS Neuromed Pharmaceuticals, Ltd. (CA) 2009-05-27 — — EP 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 4372/4885TSHR 4549/4885MEN1 3257/4885

“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.

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