SCHEMBL3229014

SCHEMBL3229014

O=C1OC2(CCNCC2)CN1C1CCCCC1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.36
CDK4 P11802 4/20 0.34
HSD11B1 P28845 4/20 0.32
GRM2 Q14416 1/20 0.32
CHRM2 P08172 1/20 0.31
CHRM3 P20309 1/20 0.31
POLB P06746 1/20 0.30
GAA P10253 1/20 0.30
ALDH1A1 P00352 1/20 0.30
TNKS O95271 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
SCHEMBL23459586 0.80 TNKS (0.31) TNKS
SCHEMBL23459368 0.80 TNKS (0.31) TNKS
SCHEMBL23459367 0.80 TNKS (0.31) TNKS
SCHEMBL23460556 0.79 TNKS (0.33) CDK4TNKS
SCHEMBL735829 0.79 FASN (0.39) HRH3HSD11B1POLBGAAALDH1A1
SCHEMBL23460060 0.78 HSD11B1 (0.31) HSD11B1
SCHEMBL25041326 0.77 TNKS (0.32) TNKS
SCHEMBL29993201 0.77 TNKS (0.32) TNKS
SCHEMBL23481178 0.77 TNKS (0.32) TNKS
SCHEMBL736458 0.77 FASN (0.39) HRH3ALDH1A1

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
WO-2021113363-A1 SSTR5 ANTAGONISTS KALLYOPE, INC. (US) 2021-06-10 WO disclosed
US-8575167-B2 Spiro compounds having stearoyl-CoA desaturase action TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-11-05 US disclosed
US-20100069351-A1 SPIRO COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-03-18 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-20100069351-A1 SPIRO COMPOUND AND USE THEREOF SCD, SPR, SCD5 HRH3 2916/4885CDK4 153/4885HSD11B1 9/4885

“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.