SCHEMBL8737516

SCHEMBL8737516

CC(C)c1ncc(C(C)C)c2[nH]ccc12

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BTK Q06187 1/20 0.36
TAAR1 Q96RJ0 1/20 0.33
AXL P30530 1/20 0.33
PRKCI P41743 1/20 0.33
JAK3 P52333 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
SCHEMBL8736950 0.85 TAAR1 (0.36) BTKTAAR1AXLPRKCIJAK3
SCHEMBL6127940 0.84 AXL (0.42) BTKAXLPRKCIJAK3TTBK1
SCHEMBL21726013 0.82 AXL (0.38) BTKAXLPRKCIJAK3
SCHEMBL8737468 0.81 AXL (0.36) TAAR1AXLPRKCI
SCHEMBL18819909 0.80 BTK (0.33) BTKCAPN1
SCHEMBL8735125 0.76 PRKCI (0.42) BTKAXLPRKCIJAK3TTBK1
SCHEMBL8737717 0.74 PIK3C3 (0.40) TAAR1AXLPRKCI
SCHEMBL18999654 0.74 CCR8 (0.33) TAAR1
SCHEMBL1695165 0.70 GABRA1 (0.43) ADRA2AADRA2BADRA2CCAPN1
SCHEMBL25091485 0.69 GPR55 (0.35) AXLPRKCI

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-8426595-B2 Gamma secretase modulators MERCK SHARP & DOHME LLC 2013-04-23 US disclosed
US-20120129846-A1 GAMMA SECRETASE MODULATORS Merck, Sharp & Dohme, Corp. 2012-05-24 US disclosed
US-20110263529-A1 GAMMA SECRETASE MODULATORS MERCK SHARP & DOHME CORP. 2011-10-27 US disclosed
US-20110015190-A1 GAMMA SECRETASE MODULATORS SCHERING CORPORATION 2011-01-20 US disclosed
US-20100298372-A1 GAMMA SECRETASE MODULATORS SCHERING CORPORATION 2010-11-25 US disclosed
US-20100297128-A1 GAMMA SECRETASE MODULATORS MERCK SHARP & DOHME LLC 2010-11-25 US disclosed
US-20100298359-A1 GAMMA SECRETASE MODULATORS MERCK SHARP & DOHME CORP. 2010-11-25 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 (6 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-20100298359-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 BTK 4054/4885TAAR1 4120/4885AXL 4651/4885
US-20100297128-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 BTK 3125/4885TAAR1 4052/4885AXL 4166/4885
US-20120129846-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 BTK 2726/4885TAAR1 4235/4885AXL 4135/4885
US-20100298372-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 BTK 3947/4885TAAR1 4110/4885AXL 4708/4885
US-20110263529-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 BTK 2500/4885TAAR1 4367/4885AXL 4072/4885
US-20110015190-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 BTK 4054/4885TAAR1 4120/4885AXL 4651/4885

“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.