SCHEMBL5778455

SCHEMBL5778455

COc1ncccc1CN1CCC(C=Cc2cc(F)ccc2OCC2CCCCC2)CC1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRNB4 P30926 2/20 0.40
CHRNA3 P32297 2/20 0.40
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
HTR2B P41595 1/20 0.40
SSTR5 P35346 1/20 0.38
KCNH2 Q12809 1/20 0.38
FFAR1 O14842 1/20 0.36
ACKR3 P25106 1/20 0.36
ACHE P22303 1/20 0.36
P2RY1 P47900 1/20 0.36
DCPS Q96C86 2/20 0.35
CYP2D6 P10635 1/20 0.35
CCNT1 O60563 1/20 0.35
CDK9 P50750 1/20 0.35
GPR6 P46095 1/20 0.35

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
SCHEMBL5780681 0.94 CHRNB4 (0.41) CHRNB4CHRNA3HTR2AHTR2CHTR2B
SCHEMBL5779504 0.91 CHRNB4 (0.41) CHRNB4CHRNA3ACKR3ACHEDCPS
SCHEMBL5780296 0.90 CHRNB4 (0.41) CHRNB4CHRNA3ACHEDCPSCYP2D6
SCHEMBL5779260 0.86 DCPS (0.41) CHRNB4CHRNA3HTR2CHTR2BSSTR5
SCHEMBL5781763 0.84 CXCR4 (0.36) DCPSCYP2D6CCNT1CDK9
SCHEMBL5780578 0.81 MAOB (0.44) ACHE
SCHEMBL5803450 0.81 MAOA (0.35) KCNH2FFAR1DCPSCYP2D6
SCHEMBL5781506 0.80 TLR4 (0.45) CHRNB4CHRNA3ACKR3ACHE
SCHEMBL1475768 0.79 CHRNB4 (0.37) CHRNB4CHRNA3HTR2AHTR2BACHE
SCHEMBL1475765 0.79 CHRNB4 (0.37) CHRNB4CHRNA3HTR2AHTR2BACHE

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 claimed
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
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 CHRNB4 1052/4885CHRNA3 628/4885HTR2A 439/4885

“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.