SCHEMBL2086353

SCHEMBL2086353

CN1C(=O)NCCC12CCN(Cc1ccccc1)CC2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.51
ALDH1A1 P00352 1/20 0.51
CYP2C9 P11712 1/20 0.51
TSHR P16473 1/20 0.51
CYP2C19 P33261 1/20 0.51
KMT2A Q03164 1/20 0.51
HIF1A Q16665 1/20 0.51
OPRL1 P41146 2/20 0.49
OPRM1 P35372 1/20 0.49
OPRD1 P41143 1/20 0.49
OPRK1 P41145 1/20 0.49
CYP3A4 P08684 1/20 0.48
HSD17B10 Q99714 1/20 0.48
SIGMAR1 Q99720 8/20 0.47
MC4R P32245 1/20 0.47
CYP2D6 P10635 1/20 0.47
DRD2 P14416 4/20 0.45
POLB P06746 1/20 0.44
HTR2A P28223 2/20 0.44
HTR2C P28335 2/20 0.44

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
SCHEMBL2453256 0.82 CCR5 (0.52) MEN1ALDH1A1CYP2C9TSHRCYP2C19
SCHEMBL2083185 0.80 CYP3A4 (0.50) MEN1ALDH1A1CYP2C9TSHRCYP2C19
SCHEMBL6633133 0.77 SIGMAR1 (0.47) MEN1ALDH1A1CYP2C9TSHRCYP2C19
SCHEMBL13768897 0.76 SIGMAR1 (0.48) MEN1ALDH1A1CYP2C9TSHRCYP2C19
SCHEMBL3647086 0.75 LTA4H (0.61) MEN1ALDH1A1CYP2C9TSHRCYP2C19
SCHEMBL13818191 0.73 TSHR (0.64) MEN1ALDH1A1CYP2C9TSHRCYP2C19
SCHEMBL6012662 0.73 SIGMAR1 (0.57) MEN1ALDH1A1CYP2C9TSHRCYP2C19
SCHEMBL6160862 0.73 OPRL1 (0.50) MEN1ALDH1A1CYP2C9TSHRCYP2C19
SCHEMBL14026998 0.72 TSHR (0.67) MEN1ALDH1A1CYP2C9TSHRCYP2C19
SCHEMBL9029374 0.72 OPRL1 (0.70) OPRL1OPRM1OPRD1OPRK1SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110052612-A1 SPIROPIPERIDINE COMPOUND AND MEDICINAL USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2011-03-03 US disclosed
EP-1889622-A1 SPIROPIPERIDINE COMPOUND AND MEDICINAL USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2008-02-20 EP disclosed
EP-1430898-A1 RECEPTOR ANTAGONIST KYOWA HAKKO KOGYO CO., LTD. (JP) 2004-06-23 EP disclosed
US-20040110826-A1 Receptor Antagonists KYOWA HAKKO KOGYO CO., LTD. (JP) 2004-06-10 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 (2 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-20110052612-A1 SPIROPIPERIDINE COMPOUND AND MEDICINAL USE THEREOF CXCR3, CFTR, CXCR1 MEN1 2643/4885ALDH1A1 919/4885CYP2C9 488/4885
US-20040110826-A1 Receptor Antagonists ADRA2C, OPRL1, ADRB1 MEN1 4885/4885ALDH1A1 1430/4885CYP2C9 1248/4885

“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.