SCHEMBL1207252

SCHEMBL1207252

CCOC(=O)[C@H]1CCCN1C1CCNCC1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 2/20 0.42
POLB P06746 2/20 0.40
KDM4E B2RXH2 3/20 0.39
ALDH1A1 P00352 6/20 0.38
MAPT P10636 3/20 0.37
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
RECQL P46063 1/20 0.36
PKM P14618 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL5176485 0.96 FKBP1A (0.47) FKBP1APOLBKDM4EALDH1A1MAPT
SCHEMBL19171985 0.89 FKBP1A (0.47) FKBP1AKDM4EALDH1A1MAPTTSHR
SCHEMBL20310851 0.84 FKBP1A (0.43) FKBP1AKDM4EALDH1A1MAPTTSHR
SCHEMBL1207488 0.83 POLB (0.41) FKBP1APOLBSMN1; SMN2
SCHEMBL4045420 0.83 FKBP1A (0.51) FKBP1APOLBKDM4EALDH1A1MAPT
SCHEMBL17001994 0.83 POLB (0.41) FKBP1APOLBSMN1; SMN2
SCHEMBL12881530 0.82 SMN1; SMN2 (0.42) FKBP1AKDM4EALDH1A1MAPTSMN1; SMN2
SCHEMBL3316195 0.82 POLB (0.36) FKBP1APOLBALDH1A1MAPTPKM
SCHEMBL1206077 0.82 POLB (0.36) FKBP1APOLBALDH1A1MAPTPKM
SCHEMBL12881542 0.79 FKBP1A (0.48) FKBP1APOLBKDM4EALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110034444-A1 SELECTED CGRP ANTAGONISTS, PROCESSES FOR PREPARING THEM AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-02-10 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 (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-20110034444-A1 SELECTED CGRP ANTAGONISTS, PROCESSES FOR PREPARING THEM AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS CALCRL, CALCR, CALCA FKBP1A 2848/4885POLB 2511/4885KDM4E 4514/4885

“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.