SCHEMBL5779414

SCHEMBL5779414

O=C(CC1CCCCN1)NCc1cccc(F)c1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SRC P12931 2/20 0.50
RAB9A P51151 4/20 0.49
MAPK1 P28482 1/20 0.49
POLB P06746 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
NPC1 O15118 1/20 0.46
HTR2C P28335 1/20 0.46
HTR2B P41595 1/20 0.46
KDM4E B2RXH2 1/20 0.45
HSD17B10 Q99714 1/20 0.45
CHRM2 P08172 1/20 0.43
CHRM4 P08173 1/20 0.43
CHRM1 P11229 1/20 0.43
CHRM3 P20309 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
TP53 P04637 1/20 0.43
ERCC1 P07992 1/20 0.43
ERCC4 Q92889 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
SCHEMBL5190932 0.86 EPHX2 (0.52) RAB9ASMN1; SMN2NPC1MEN1KMT2A
SCHEMBL5192841 0.85 RAB9A (0.65) RAB9APOLBSMN1; SMN2NPC1KDM4E
SCHEMBL5193944 0.78 LMNA (0.48) RAB9ASMN1; SMN2NPC1KDM4EHSD17B10
SCHEMBL5191103 0.78 RAB9A (0.51) RAB9APOLBSMN1; SMN2NPC1MEN1
SCHEMBL25155624 0.77 SRC (0.53) SRCRAB9AMAPK1POLBSMN1; SMN2
SCHEMBL1396936 0.77 ATM (0.55) POLBHTR2CHTR2B
SCHEMBL31359854 0.77 SRC (0.53) SRCRAB9AMAPK1POLBSMN1; SMN2
SCHEMBL5195550 0.77 RAB9A (0.51) RAB9APOLBSMN1; SMN2NPC1HTR2C
SCHEMBL5191447 0.77 HPGD (0.57) RAB9AMAPK1POLBSMN1; SMN2NPC1
SCHEMBL5195710 0.75 ALDH1A1 (0.58) RAB9APOLBSMN1; SMN2NPC1MEN1

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
EP-1254904-B1 NOVEL PIPERIDINE COMPOUNDS AND DRUGS CONTAINING THE SAME EISAI CO LTD (JP) 2006-05-24 EP disclosed
US-6784192-B2 NA+ CHANNEL INHIBITORY ACTION IS USEFUL FOR THERAPY AND PREVENTION FOR EXAMPLE, ARRHYTHMIA, VARIOUS NEURALGIAS AND ANALGESIC EISAI CO., LTD. (JP) 2004-08-31 US disclosed
US-20030220368-A1 Novel piperidine compouds and drugs containing the same EISAI R&D MANAGEMENT CO., LTD. (JP) 2003-11-27 US disclosed
CN-1395575-A Novel piperidine compounds and drugs containing the same EISAI CO LTD (JP) 2003-02-05 CN disclosed
EP-1254904-A1 NOVEL PIPERIDINE COMPOUNDS AND DRUGS CONTAINING THE SAME Eisai Co., Ltd. (JP) 2002-11-06 EP 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-20030220368-A1 Novel piperidine compouds and drugs containing the same TRPV1, CACNA1D, KCND2 SRC 4270/4885RAB9A 1912/4885MAPK1 1239/4885

“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.