SCHEMBL8736950

SCHEMBL8736950

CC(C)c1cnc(C(C)C)c2[nH]ccc12

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.36
BTK Q06187 1/20 0.33
CIT O14578 1/20 0.33
PRKCI P41743 3/20 0.33
AXL P30530 2/20 0.33
PIP4K2C Q8TBX8 1/20 0.32
JAK3 P52333 1/20 0.31
CCNK O75909 1/20 0.31
CDK12 Q9NYV4 1/20 0.31
TTBK1 Q5TCY1 1/20 0.31
TTBK2 Q6IQ55 1/20 0.31
ADRA2A P08913 1/20 0.30
ADRA2B P18089 1/20 0.30
ADRA2C P18825 1/20 0.30
CAPN1 P07384 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
SCHEMBL8737516 0.85 BTK (0.36) TAAR1BTKPRKCIAXLJAK3
SCHEMBL8735125 0.84 PRKCI (0.42) BTKCITPRKCIAXLJAK3
SCHEMBL8737717 0.81 PIK3C3 (0.40) TAAR1PRKCIAXL
SCHEMBL6127940 0.76 AXL (0.42) BTKCITPRKCIAXLJAK3
SCHEMBL21726013 0.75 AXL (0.38) BTKPRKCIAXLJAK3CCNK
SCHEMBL8737468 0.74 AXL (0.36) TAAR1PRKCIAXL
SCHEMBL18999654 0.74 CCR8 (0.33) TAAR1
SCHEMBL18819909 0.73 BTK (0.33) BTKCAPN1
SCHEMBL19131034 0.71 CCR8 (0.52) CITPRKCIAXL
SCHEMBL27439407 0.70

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8809318-B2 Gamma secretase modulators MERCK SHARP & DOHME CORP. (US) 2014-08-19 US disclosed
US-8759337-B2 Gamma secretase modulators MERCK SHARP & DOHME CORP. (US) 2014-06-24 US disclosed
US-20120135980-A1 GAMMA SECRETASE MODULATORS SCHERING CORPORATION 2012-05-31 US disclosed
US-20120129846-A1 GAMMA SECRETASE MODULATORS Merck, Sharp & Dohme, Corp. 2012-05-24 US disclosed
US-20120129846-A1 GAMMA SECRETASE MODULATORS Merck, Sharp & Dohme, Corp. 2012-05-24 US disclosed
US-20110306593-A1 GAMMA SECRETASE MODULATORS MERCK SHARP & DOHME LLC 2011-12-15 US disclosed
US-20110294784-A1 GAMMA SECRETASE MODULATORS MERCK SHARP & DOHME LLC 2011-12-01 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-20110294784-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, GSAP TAAR1 4054/4885BTK 3584/4885CIT 3871/4885
US-20120135980-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, GSAP TAAR1 4054/4885BTK 3584/4885CIT 3871/4885
US-20120129846-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 TAAR1 4235/4885BTK 2726/4885CIT 4418/4885
US-20110306593-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 TAAR1 3995/4885BTK 2580/4885CIT 4479/4885

“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.