SCHEMBL16075262

SCHEMBL16075262

CC#CC(=O)N1CCN(C(C)C)CC1

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GPX4 P36969 2/20 0.54
HRH3 Q9Y5N1 15/20 0.42
KCNH2 Q12809 4/20 0.42
CYP2D6 P10635 2/20 0.42
CHRNA7 P36544 1/20 0.37
CHRM1 P11229 1/20 0.36
MGLL Q99685 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
SCHEMBL23643796 0.78 GPX4 (0.50) GPX4HRH3KCNH2CYP2D6CHRNA7
SCHEMBL31395022 0.77 CYP1A2 (0.50) GPX4HRH3
SCHEMBL19909698 0.77 CYP1A2 (0.50) GPX4MGLL
SCHEMBL32667371 0.76
SCHEMBL17033931 0.76 GPX4 (0.45) GPX4
SCHEMBL16078763 0.76 GPX4 (0.37) GPX4HRH3
SCHEMBL19890770 0.74 ALDH1A1 (0.44) GPX4
SCHEMBL26680011 0.73 HRH3 (0.66) HRH3KCNH2CYP2D6CHRNA7
SCHEMBL20144240 0.73 GPX4 (0.41) GPX4
SCHEMBL16257027 0.72 SMN1; SMN2 (0.35) GPX4HRH3KCNH2CYP2D6

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-2970163-B1 5-THIAZOLECARBOXAMIDE DERVATIVES AND THEIR USE AS BTK INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2018-02-28 EP disclosed
US-8895750-B2 Heteroaromatic compounds as BTK inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-11-25 US disclosed
US-8895750-B2 Heteroaromatic compounds as BTK inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-11-25 US disclosed
US-20140275012-A1 HETEROAROMATIC COMPOUNDS AS BTK INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-09-18 US disclosed
US-20140275012-A1 HETEROAROMATIC COMPOUNDS AS BTK INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-09-18 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-20140275012-A1 HETEROAROMATIC COMPOUNDS AS BTK INHIBITORS BTK, SYK, LCK GPX4 2185/4885HRH3 1559/4885KCNH2 2716/4885

“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.