SCHEMBL4074503

SCHEMBL4074503

O=C(CC(c1ccccc1)c1ccccc1)NC1(C(=O)NCc2ccc(F)cc2)CCCCC1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
LMNA P02545 2/20 0.47
RAB9A P51151 3/20 0.46
CTSB P07858 1/20 0.46
CTSS P25774 1/20 0.46
CYP2C19 P33261 2/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
POLB P06746 3/20 0.45
NPC1 O15118 1/20 0.45
MAOB P27338 1/20 0.45
CYP1A2 P05177 1/20 0.44
KMT2A Q03164 1/20 0.44
FAAH O00519 1/20 0.44
USP2 O75604 1/20 0.44
HPGD P15428 1/20 0.43
TACR1 P25103 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL4459444 0.90 CTSB (0.47) ALDH1A1LMNACTSBCTSSCYP2C19
SCHEMBL13671108 0.89 CYP3A4 (0.60) RAB9ACTSBCTSSCYP2C19CYP3A4
SCHEMBL4456920 0.86 P2RX7 (0.41) ALDH1A1LMNACTSBCTSSPOLB
SCHEMBL4452561 0.86 CASR (0.55) ALDH1A1LMNARAB9ACTSBCTSS
SCHEMBL4456818 0.85 CTSB (0.45) ALDH1A1CTSBCTSSCYP2C19CYP3A4
SCHEMBL13620307 0.82 BCHE (0.56) ALDH1A1CTSBCTSSCYP2C19CYP3A4
SCHEMBL4562887 0.82 CASR (0.46) ALDH1A1LMNARAB9ACYP2C19CYP3A4
SCHEMBL6276892 0.80 DPP4 (0.53) ALDH1A1LMNASMN1; SMN2
SCHEMBL4079580 0.79 LMNA (0.45) ALDH1A1LMNACTSBCTSSCYP2C19
SCHEMBL4447443 0.78 ALDH1A1 (0.45) ALDH1A1LMNACTSBCTSSPOLB

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
WO-2009132452-A1 DIARYL-CYCLYLALKYL DERIVATIVES AS CALCIUM CHANNEL BLOCKERS NEUROMED PHARMACEUTICALS LTD. (CA) 2009-11-05 WO disclosed
WO-2009132452-A1 DIARYL-CYCLYLALKYL DERIVATIVES AS CALCIUM CHANNEL BLOCKERS NEUROMED PHARMACEUTICALS LTD. (CA) 2009-11-05 WO disclosed
US-20090270338-A1 DIARYL-CYCLYLALKYL DERIVATIVES AS CALCIUM CHANNEL BLOCKERS ZALICUS PHARMACEUTICALS LTD. (CA) 2009-10-29 US disclosed
US-20090270338-A1 DIARYL-CYCLYLALKYL DERIVATIVES AS CALCIUM CHANNEL BLOCKERS ZALICUS PHARMACEUTICALS LTD. (CA) 2009-10-29 US disclosed
US-20090270338-A1 DIARYL-CYCLYLALKYL DERIVATIVES AS CALCIUM CHANNEL BLOCKERS ZALICUS PHARMACEUTICALS LTD. (CA) 2009-10-29 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 (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-20090270338-A1 DIARYL-CYCLYLALKYL DERIVATIVES AS CALCIUM CHANNEL BLOCKERS CACNA1G, CACNA1H, CACNA1B ALDH1A1 2493/4885LMNA 1219/4885RAB9A 1502/4885

“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.