SCHEMBL15624931

SCHEMBL15624931

CC(C)(C)OC(=O)C1CCN(C(=O)CCl)CC1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 1/20 0.55
▸ ALDH1A1 P00352 9/20 0.54
▸ MEN1 O00255 1/20 0.52
▸ TSHR P16473 1/20 0.52
▸ KMT2A Q03164 1/20 0.52
▸ HPGD P15428 1/20 0.44
▸ SMN1; SMN2 Q16637 4/20 0.44
▸ HTT P42858 2/20 0.44
▸ POLB P06746 1/20 0.44
▸ YAP1 P46937 1/20 0.43
▸ TEAD4 Q15561 1/20 0.43
▸ RECQL P46063 1/20 0.42
▸ LMNA P02545 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.39

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
SCHEMBL18894204 0.84 HRH3 (0.55) HRH3ALDH1A1MEN1TSHRKMT2A
SCHEMBL13965734 0.84 HRH3 (0.55) HRH3ALDH1A1MEN1TSHRKMT2A
SCHEMBL22481582 0.81 ALDH1A1 (0.59) ALDH1A1MEN1KMT2ASMN1; SMN2HTT
SCHEMBL25217807 0.81 HRH3 (0.59) HRH3ALDH1A1MEN1TSHRKMT2A
SCHEMBL14490929 0.81 ALDH1A1 (0.53) HRH3ALDH1A1MEN1TSHRKMT2A
SCHEMBL28055168 0.81 HRH3 (0.77) HRH3ALDH1A1MEN1TSHRKMT2A
SCHEMBL310852 0.80 HRH3 (0.60) HRH3ALDH1A1MEN1TSHRKMT2A
SCHEMBL1764566 0.80 HRH3 (0.60) HRH3ALDH1A1MEN1TSHRKMT2A
SCHEMBL11904378 0.80 HPGD (0.66) HRH3KMT2AHPGDSMN1; SMN2RECQL
SCHEMBL5605709 0.79 ALDH1A1 (0.66) ALDH1A1MEN1TSHRKMT2ASMN1; SMN2

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-2897940-B1 HETEROCYCLIC COMPOUNDS, MEDICAMENTS CONTAINING SAID COMPOUNDS, USE THEREOF AND PROCESSES FOR THE PREPARATION THEREOF BOEHRINGER INGELHEIM INT (DE) 2019-05-01 — — EP disclosed
US-8841309-B2 Substituted pyrazines and their use in the treatment of disease BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-09-23 — — US disclosed
US-8841309-B2 Substituted pyrazines and their use in the treatment of disease BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-09-23 — — US disclosed
US-20140088097-A1 HETEROCYCLIC COMPOUNDS, MEDICAMENTS CONTAINING SAID COMPOUNDS, USE THEREOF AND PROCESSES FOR THE PREPARATION THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-03-27 — — US disclosed
WO-2014044849-A1 HETEROCYCLIC COMPOUNDS, MEDICAMENTS CONTAINING SAID COMPOUNDS, USE THEREOF AND PROCESSES FOR THE PREPARATION THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-03-27 — — 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-20140088097-A1 HETEROCYCLIC COMPOUNDS, MEDICAMENTS CONTAINING SAID COMPOUNDS, USE THEREOF AND PROCESSES FOR THE PREPARATION THEREOF SCNN1B, SCNN1A, TRPV1 HRH3 867/4885ALDH1A1 1172/4885MEN1 602/4885

“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.

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