SCHEMBL9980651

SCHEMBL9980651

Cc1ccc(N2CCC(C=O)CC2)cn1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SLC6A9 P48067 3/20 0.39
▸ ELANE P08246 1/20 0.39
▸ CHRNB2 P17787 4/20 0.38
▸ CHRNA4 P43681 4/20 0.38
▸ GPR119 Q8TDV5 2/20 0.38
▸ USP1 O94782 1/20 0.38
▸ WDR48 Q8TAF3 1/20 0.38
▸ CHRNB4 P30926 3/20 0.38
▸ CHRNA3 P32297 3/20 0.38
▸ CHRNB1 P11230 1/20 0.38
▸ CHRNB3 Q05901 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.37
▸ TRIM24 O15164 1/20 0.36
▸ TRIM33 Q9UPN9 1/20 0.36
▸ MAPT P10636 2/20 0.36
▸ CHRM4 P08173 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ SMN1; SMN2 Q16637 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
Hydrochloric Acid SCHEMBL9222016 0.81 CHRNB2 (0.51) CHRNB2CHRNA4CHRNB4CHRNA3CHRM4
SCHEMBL17297906 0.80 USP2 (0.49) CHRNB2CHRNA4USP1WDR48CHRNB4
SCHEMBL17664587 0.80 MAPT (0.49) SLC6A9ELANECHRNB2CHRNA4GPR119
SCHEMBL17664584 0.78 MAPT (0.50) SLC6A9ELANECHRNB2CHRNA4USP1
Hydrochloric Acid SCHEMBL2366337 0.78 ADRB1 (0.47) GPR119ALDH1A1TRIM24TRIM33MAPT
SCHEMBL2687238 0.78 ACVR1 (0.44) SLC6A9ELANECHRNB2CHRNA4USP1
SCHEMBL15859872 0.78 CHRNB2 (0.41) SLC6A9ELANECHRNB2CHRNA4GPR119
SCHEMBL25204817 0.78 MAPT (0.65) CHRNB2CHRNA4CHRNB4CHRNA3MAPT
SCHEMBL27253468 0.78 HRH3 (0.53) —
SCHEMBL31752976 0.78 HRH3 (0.57) GPR119ALDH1A1MAPTNPC1RAB9A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8658131-B2 Compounds comprising 4-benzoylpiperidine as a sigma-1-selective ligand WASHINGTON UNIVERSITY (US) 2014-02-25 — — US disclosed
US-20110311447-A1 Compounds comprising 4-benzoylpiperidine as a Sigma-1-selective ligand WASHINGTON UNIVERSITY (US) 2011-12-22 — — 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-20110311447-A1 Compounds comprising 4-benzoylpiperidine as a Sigma-1-selective ligand SIGMAR1, TMEM97, OPRM1 SLC6A9 1359/4885ELANE 4591/4885CHRNB2 332/4885

“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.

Send feedback