SCHEMBL5076799

SCHEMBL5076799

Cc1cc(OCC(O)CN2CCN(CCCCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)c(C)c(C)c1N

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 7/20 0.50
LMNA P02545 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ALDH1A1 P00352 1/20 0.43
ALOX5 P09917 4/20 0.42
FAAH O00519 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
TSHR P16473 1/20 0.42
ALOX12 P18054 1/20 0.42
MAPK1 P28482 1/20 0.42
MTOR P42345 1/20 0.42
RAB9A P51151 1/20 0.42

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
SCHEMBL5079954 0.87 KCNH2 (0.51) KCNH2LMNAMEN1KMT2ASMN1; SMN2
SCHEMBL5017483 0.87 KCNH2 (0.55) KCNH2LMNAMEN1KMT2ASMN1; SMN2
SCHEMBL5026260 0.83 KCNH2 (0.49) KCNH2LMNAMEN1KMT2ASMN1; SMN2
SCHEMBL9301630 0.78 MAPT (0.55) KCNH2LMNAMEN1KMT2AALDH1A1
SCHEMBL9301048 0.77 MEN1 (0.53) KCNH2LMNAMEN1KMT2ASMN1; SMN2
SCHEMBL4479912 0.77 MEN1 (0.56) LMNAMEN1KMT2AALDH1A1TSHR
SCHEMBL3042761 0.77 MEN1 (0.56) LMNAMEN1KMT2AALDH1A1TSHR
SCHEMBL3042690 0.77 MEN1 (0.56) LMNAMEN1KMT2AALDH1A1TSHR
Hydrochloric Acid SCHEMBL3144341 0.76 MEN1 (0.58) LMNAMEN1KMT2AALDH1A1TSHR
SCHEMBL9187274 0.76 MAPT (0.60) KCNH2MEN1KMT2AALDH1A1TSHR

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-1611116-A2 CALCIUM CHANNEL INHIBITORS COMPRISING BENZHYDRIL SPACED FROM PIPERAZINE Neuromed Technologies, Inc. (CA) 2006-01-04 EP claimed
US-20040266784-A1 Calcium channel inhibitors comprising benzhydril spaced from piperazine ZALICUS PHARMACEUTICALS LTD. (CA) 2004-12-30 US claimed
WO-2004089922-A2 CALCIUM CHANNEL INHIBITORS COMPRISING BENZHYDRIL SPACED FROM PIPERAZINE NEUROMED TECHNOLOGIES, INC. (CA) 2004-10-21 WO claimed
US-20080300262-A1 Combination Therapy for Relief of Pain ZALICUS PHARMACEUTICALS LTD. (CA) 2008-12-04 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-20040266784-A1 Calcium channel inhibitors comprising benzhydril spaced from piperazine CACNA1C, CACNA1F, CACNA1D KCNH2 42/4885LMNA 2071/4885MEN1 3380/4885
US-20080300262-A1 Combination Therapy for Relief of Pain CACNA1B, TRPV1, ORAI1 KCNH2 109/4885LMNA 2327/4885MEN1 3776/4885

“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.