SCHEMBL15315424

SCHEMBL15315424

CC(C)(C)CN1CC[C@@H](N)C1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GNAI3 P08754 1/20 0.37
GNAO1 P09471 1/20 0.37
GNAI1 P63096 1/20 0.37
HRH2 P25021 2/20 0.34
HRH1 P35367 2/20 0.34
HRH4 Q9H3N8 2/20 0.33
HRH3 Q9Y5N1 2/20 0.33
LTA4H P09960 1/20 0.33
SPHK1 Q9NYA1 1/20 0.30
ALDH1A1 P00352 1/20 0.30
KDM1A O60341 1/20 0.30

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
SCHEMBL12932769 1.00 GNAI3 (0.37) GNAI3GNAO1GNAI1HRH2HRH1
SCHEMBL24429438 0.88 ALDH1A1 (0.36) ALDH1A1
SCHEMBL5872988 0.86 GNAI3 (0.44) GNAI3GNAO1GNAI1SPHK1
SCHEMBL14311897 0.83 HRH2 (0.35) GNAI3GNAO1GNAI1HRH2HRH1
SCHEMBL25090864 0.83 HRH2 (0.35) GNAI3GNAO1GNAI1HRH2HRH1
SCHEMBL18031721 0.81
SCHEMBL9924114 0.80 ALDH1A1 (0.31) HRH3ALDH1A1
SCHEMBL9924113 0.80 ALDH1A1 (0.31) HRH3ALDH1A1
SCHEMBL15699206 0.80 ALDH1A1 (0.31) HRH3ALDH1A1
SCHEMBL12927139 0.79 GNAI3 (0.39) GNAI3GNAO1GNAI1HRH2HRH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10858360-B2 Tricyclic gyrase inhibitors MERCK SHARP & DOHME CORP. (US) 2020-12-08 US disclosed
US-8871778-B2 Substituted pyrimidine compounds and their use as SYK inhibitors GENOSCO (US) 2014-10-28 US disclosed
US-20130274242-A1 SUBSTITUTED PYRIMIDINE COMPOUNDS AND THEIR USE AS SYK INHIBITORS Genosco Inc. 2013-10-17 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-20130274242-A1 SUBSTITUTED PYRIMIDINE COMPOUNDS AND THEIR USE AS SYK INHIBITORS SYK, BTK, LCK GNAI3 1464/4885GNAO1 2006/4885GNAI1 947/4885
US-10858360-B2 Tricyclic gyrase inhibitors TOP1, TOP2A, TOP2B GNAI3 1233/4885GNAO1 1271/4885GNAI1 757/4885

“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.