SCHEMBL3353702

SCHEMBL3353702

CCOC(=O)C(C)N1CC[CH]CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.40
MAPT P10636 2/20 0.40
KMT2A Q03164 2/20 0.40
HPGD P15428 2/20 0.40
LMNA P02545 1/20 0.40
RAB9A P51151 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
CYP3A4 P08684 1/20 0.37
CYP2C19 P33261 1/20 0.37
GAA P10253 2/20 0.36
TSHR P16473 4/20 0.36
PKM P14618 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.34
KDM1A O60341 1/20 0.33
MEN1 O00255 1/20 0.33
POLB P06746 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM1 P11229 1/20 0.33

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
SCHEMBL6129180 0.86 ALDH1A1 (0.46) ALDH1A1MAPTKMT2AHPGDLMNA
SCHEMBL3898658 0.82 ALDH1A1 (0.43) ALDH1A1MAPTKMT2AHPGDLMNA
SCHEMBL4089646 0.82 ALDH1A1 (0.43) ALDH1A1MAPTKMT2AHPGDLMNA
SCHEMBL28201107 0.82 ALDH1A1 (0.43) ALDH1A1MAPTKMT2AHPGDLMNA
SCHEMBL27635949 0.81 RECQL (0.37) ALDH1A1KMT2ALMNAMEN1POLB
SCHEMBL2961890 0.81 ALDH1A1 (0.42) ALDH1A1MAPTKMT2AHPGDLMNA
SCHEMBL3358932 0.78 ALDH1A1 (0.40) ALDH1A1MAPTKMT2AHPGDLMNA
SCHEMBL2110264 0.78 SIGMAR1 (0.42) ALDH1A1MAPTKMT2AHPGDLMNA
SCHEMBL27793003 0.78 ALDH1A1 (0.41) ALDH1A1MAPTKMT2AHPGDLMNA
SCHEMBL16496970 0.78 KDM4E (0.46) ALDH1A1MAPTKMT2AHPGDLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7696195-B2 Selected CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-13 US claimed
EP-1740577-A2 SELECTED CGRP ANTAGONISTS, METHODS FOR THE PRODUCTION THEREOF, AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-01-10 EP claimed
US-20050256099-A1 Selected CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-11-17 US claimed
WO-2005103037-A2 SELECTED CGRP ANTAGONISTS, METHODS FOR THE PRODUCTION THEREOF, AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-11-03 WO claimed
US-7696195-B2 Selected CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-13 US disclosed
EP-1740577-A2 SELECTED CGRP ANTAGONISTS, METHODS FOR THE PRODUCTION THEREOF, AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-01-10 EP disclosed
US-20050256099-A1 Selected CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-11-17 US disclosed
WO-2005103037-A2 SELECTED CGRP ANTAGONISTS, METHODS FOR THE PRODUCTION THEREOF, AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-11-03 WO 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-20050256099-A1 Selected CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions CALCRL, CALCR, CALCA ALDH1A1 1559/4885MAPT 866/4885KMT2A 4757/4885

“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.