SCHEMBL9604744

SCHEMBL9604744

CC(C)C1(c2ccc(F)cc2)CCCOC1

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 15/20 0.35
SLC6A4 P31645 14/20 0.35
SLC6A2 P23975 3/20 0.34
MMP1 P03956 1/20 0.32
MMP13 P45452 1/20 0.32
BACE1 P56817 1/20 0.32
OPRM1 P35372 1/20 0.32

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
SCHEMBL7734299 0.81 SLC6A3 (0.42) SLC6A3SLC6A4SLC6A2
SCHEMBL13332854 0.81 SLC6A3 (0.46) SLC6A3SLC6A4SLC6A2
SCHEMBL10157188 0.77 SLC6A3 (0.39) SLC6A3SLC6A4SLC6A2
SCHEMBL8362857 0.75 SLC6A3 (0.37) SLC6A3SLC6A4SLC6A2MMP1MMP13
SCHEMBL19368144 0.73 ALDH1A1 (0.43) SLC6A3SLC6A4SLC6A2OPRM1
SCHEMBL27811583 0.66 SLC6A3 (0.37) SLC6A3SLC6A4SLC6A2OPRM1
SCHEMBL13932847 0.66 MAOB (0.41) SLC6A3SLC6A2
SCHEMBL10181623 0.65 OPRM1 (0.40) SLC6A3SLC6A4SLC6A2OPRM1
SCHEMBL871577 0.65 CYP3A4 (0.70) SLC6A3SLC6A4SLC6A2
SCHEMBL25136197 0.65 MAOA (0.41) SLC6A3SLC6A4SLC6A2OPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8759337-B2 Gamma secretase modulators MERCK SHARP & DOHME CORP. (US) 2014-06-24 US disclosed
US-8518975-B2 Gamma secretase modulators Merck Sharp + Dohme Corp. (US) 2013-08-27 US disclosed
US-8426595-B2 Gamma secretase modulators MERCK SHARP & DOHME LLC 2013-04-23 US disclosed
US-20120245158-A1 GAMMA SECRETASE MODULATORS SCHERING CORPORATION 2012-09-27 US disclosed
US-20120238546-A1 GAMMA SECRETASE MODULATORS SCHERING CORPORATION 2012-09-20 US disclosed
US-20120232108-A1 GAMMA SECRETASE MODULATORS Merck, Sharp & Dohme, Corp. 2012-09-13 US disclosed
US-20120135980-A1 GAMMA SECRETASE MODULATORS SCHERING CORPORATION 2012-05-31 US disclosed
US-20110294784-A1 GAMMA SECRETASE MODULATORS MERCK SHARP & DOHME LLC 2011-12-01 US disclosed
US-20110257163-A1 GAMMA SECRETASE MODULATORS SCHERING CORPORATION 2011-10-20 US disclosed
US-20110082153-A1 GAMMA SECRETASE MODULATORS SCHERING CORPORATION 2011-04-07 US disclosed
US-20110027264-A1 GAMMA SECRETASE MODULATORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE SCHERING CORPORATION 2011-02-03 US disclosed
US-20100297128-A1 GAMMA SECRETASE MODULATORS MERCK SHARP & DOHME LLC 2010-11-25 US disclosed
US-20100298372-A1 GAMMA SECRETASE MODULATORS SCHERING CORPORATION 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 (10 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-20120232108-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 SLC6A3 4483/4885SLC6A4 4475/4885SLC6A2 4451/4885
US-20110294784-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, GSAP SLC6A3 4148/4885SLC6A4 4205/4885SLC6A2 3854/4885
US-20120245158-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 SLC6A3 4483/4885SLC6A4 4475/4885SLC6A2 4451/4885
US-20100297128-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 SLC6A3 4268/4885SLC6A4 4304/4885SLC6A2 3901/4885
US-20110082153-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 SLC6A3 4521/4885SLC6A4 4547/4885SLC6A2 4438/4885
US-20120135980-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, GSAP SLC6A3 4148/4885SLC6A4 4205/4885SLC6A2 3854/4885
US-20110257163-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 SLC6A3 4556/4885SLC6A4 4514/4885SLC6A2 4496/4885
US-20100298372-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 SLC6A3 4521/4885SLC6A4 4547/4885SLC6A2 4438/4885
US-20110027264-A1 GAMMA SECRETASE MODULATORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE BACE1, BACE2, PSEN1 SLC6A3 4005/4885SLC6A4 4006/4885SLC6A2 3915/4885
US-20120238546-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 SLC6A3 4482/4885SLC6A4 4516/4885SLC6A2 4403/4885

“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.