SCHEMBL800762

SCHEMBL800762

C=C(C1CNCCO1)C(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SSTR4 P31391 20/20 0.44
SSTR1 P30872 1/20 0.34
SSTR2 P30874 1/20 0.34
SSTR3 P32745 1/20 0.34
SSTR5 P35346 1/20 0.34

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
SCHEMBL25017480 0.81 SSTR4 (0.51) SSTR4SSTR1SSTR2SSTR3SSTR5
SCHEMBL800687 0.81 SSTR4 (0.51) SSTR4SSTR1SSTR2SSTR3SSTR5
SCHEMBL22570071 0.81 SSTR4 (0.51) SSTR4SSTR1SSTR2SSTR3SSTR5
SCHEMBL4630984 0.78 SSTR4 (0.49) SSTR4SSTR1SSTR2SSTR3SSTR5
SCHEMBL3313843 0.78
SCHEMBL12563718 0.73 SSTR4 (0.38) SSTR4
SCHEMBL3308454 0.73 SSTR4 (0.38) SSTR4
SCHEMBL7660525 0.73 SSTR4 (0.38) SSTR4
SCHEMBL2643368 0.73
SCHEMBL5461286 0.72 SSTR4 (0.41) SSTR4

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
US-8796460-B2 Compounds for inhibiting KSP kinesin activity Mercky Sharp & Dohme Corp. (US) 2014-08-05 US disclosed
US-20120070370-A1 SPIRO 1,3,4-THIADIAZOLINE DERIVATIVES AS KSP INHIBITORS MERCK SHARP & DOHME CORP. 2012-03-22 US disclosed
US-20110171172-A1 COMPOUNDS FOR INHIBITING KSP KINESIN ACTIVITY MERCK SHARP & DOHME CORP. 2011-07-14 US disclosed
US-20110150757-A1 COMPOUNDS FOR INHIBITING KSP KINESIN ACTIVITY MERCK SHARP & DOHME CORP. 2011-06-23 US disclosed
US-20110123435-A1 COMPOUNDS FOR INHIBITING KSP KINESIN ACTIVITY MERCK SHARP & DOHME LLC 2011-05-26 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 (4 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-20110150757-A1 COMPOUNDS FOR INHIBITING KSP KINESIN ACTIVITY KIF18B, KIF5B, KIF18A SSTR4 4782/4885SSTR1 4568/4885SSTR2 4577/4885
US-20120070370-A1 SPIRO 1,3,4-THIADIAZOLINE DERIVATIVES AS KSP INHIBITORS KIF2C, SKP1, KIF5B SSTR4 4507/4885SSTR1 3933/4885SSTR2 4289/4885
US-20110123435-A1 COMPOUNDS FOR INHIBITING KSP KINESIN ACTIVITY KIF5B, KIF2C, KIFC1 SSTR4 4794/4885SSTR1 4549/4885SSTR2 4697/4885
US-20110171172-A1 COMPOUNDS FOR INHIBITING KSP KINESIN ACTIVITY KIF5B, KIF2C, KIFC1 SSTR4 4726/4885SSTR1 4422/4885SSTR2 4492/4885

“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.