SCHEMBL9910784

SCHEMBL9910784

CCc1cc(CC2CC2)ccc1N

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
BACE1 P56817 1/20 0.35
SLC6A4 P31645 2/20 0.34
ATP4A P20648 1/20 0.34
ATP4B P51164 1/20 0.34
SLC6A2 P23975 1/20 0.33
SLC6A3 Q01959 1/20 0.33
DHFR P00374 1/20 0.33
SKP2 Q13309 1/20 0.33
HTR2C P28335 1/20 0.32
MTNR1A P48039 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
SCHEMBL10943037 0.94 ALDH1A1 (0.36) ALDH1A1POLBMAPTBACE1SLC6A4
SCHEMBL19919045 0.93 ALDH1A1 (0.38) ALDH1A1POLBMAPTBACE1SLC6A4
SCHEMBL21339723 0.83 SLC6A4 (0.32) SLC6A4SLC6A2SLC6A3HTR2CMTNR1A
SCHEMBL21339722 0.83 SLC6A4 (0.32) SLC6A4SLC6A2SLC6A3HTR2CMTNR1A
SCHEMBL40067 0.81 IDO1 (0.32) SLC6A4SLC6A2SLC6A3
SCHEMBL29398175 0.81 IDO1 (0.32) SLC6A4SLC6A2SLC6A3
SCHEMBL28028910 0.79 TDP1 (0.37) ALDH1A1POLBMAPTSLC6A4
SCHEMBL394746 0.78 ALDH1A1 (0.48) ALDH1A1POLBMAPTBACE1SLC6A4
SCHEMBL28136200 0.78 SKP2 (0.50) ALDH1A1MAPTSLC6A4SLC6A2SLC6A3
SCHEMBL11117323 0.78 ALDH1A1 (0.35) ALDH1A1POLBMAPTBACE1ATP4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8344018-B2 Oxindolyl inhibitor compounds GILEAD SCIENCES, INC. (US) 2013-01-01 US disclosed
US-8198299-B2 Cycloalkylidene and heterocycloalkylidene inhibitor compounds GILEAD SCIENCES, INC. (US) 2012-06-12 US disclosed
US-8124764-B2 Fused heterocyclyc inhibitor compounds GILEAD SCIENCES, INC. (US) 2012-02-28 US disclosed
US-20120045412-A1 CYCLOALKYLIDENE AND HETEROCYCLOALKYLIDENE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2012-02-23 US disclosed
US-20110135594-A1 OXINDOLYL INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. 2011-06-09 US disclosed
US-20100029638-A1 FUSED HETEROCYCLYC INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. 2010-02-04 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 (3 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-20120045412-A1 CYCLOALKYLIDENE AND HETEROCYCLOALKYLIDENE INHIBITOR COMPOUNDS HDAC1, HDAC11, HDAC2 ALDH1A1 957/4885POLB 718/4885MAPT 1634/4885
US-20100029638-A1 FUSED HETEROCYCLYC INHIBITOR COMPOUNDS HDAC1, HDAC11, HDAC7 ALDH1A1 2855/4885POLB 710/4885MAPT 2011/4885
US-20110135594-A1 OXINDOLYL INHIBITOR COMPOUNDS HDAC1, HDAC8, HDAC11 ALDH1A1 1388/4885POLB 428/4885MAPT 1526/4885

“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.