SCHEMBL5779260

SCHEMBL5779260

COc1ncccc1CN1CCC(C=Cc2c(F)cccc2OCC2CCCCC2)CC1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DCPS Q96C86 4/20 0.41
CYP2D6 P10635 1/20 0.41
CHRNB4 P30926 2/20 0.41
CHRNA3 P32297 2/20 0.41
SSTR5 P35346 1/20 0.39
KCNH2 Q12809 1/20 0.39
HTR1A P08908 1/20 0.37
HTR2C P28335 1/20 0.37
HTR7 P34969 1/20 0.37
HTR2B P41595 1/20 0.37
HTR3A P46098 1/20 0.37
HTR4 Q13639 1/20 0.37
ACHE P22303 2/20 0.36
ACKR3 P25106 1/20 0.35
P2RY1 P47900 1/20 0.35
GPR6 P46095 1/20 0.34

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 0.86 CHRNB4 (0.41) DCPSCYP2D6CHRNB4CHRNA3SSTR5
SCHEMBL5779504 0.86 CHRNB4 (0.41) DCPSCYP2D6CHRNB4CHRNA3ACHE
SCHEMBL5778455 0.86 CHRNB4 (0.40) DCPSCYP2D6CHRNB4CHRNA3SSTR5
SCHEMBL5780296 0.85 CHRNB4 (0.41) DCPSCYP2D6CHRNB4CHRNA3ACHE
SCHEMBL5780578 0.81 MAOB (0.44) ACHE
SCHEMBL5781506 0.81 TLR4 (0.45) CHRNB4CHRNA3ACHEACKR3
SCHEMBL5784140 0.81 DCPS (0.52) DCPSCYP2D6CHRNB4CHRNA3SSTR5
SCHEMBL5780279 0.80 DCPS (0.40) DCPSCYP2D6
SCHEMBL5780044 0.77 KCNH2 (0.48) CHRNB4CHRNA3KCNH2
SCHEMBL5782945 0.77 PDCD1LG2 (0.41) ACHE

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 DCPS 3564/4885CYP2D6 442/4885CHRNB4 1052/4885

“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.