SCHEMBL16675665

SCHEMBL16675665

COc1ccc(C(C#N)C2(OC)CCCCC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.46
ALDH1A1 P00352 5/20 0.42
SLC6A4 P31645 6/20 0.42
SLC6A3 Q01959 6/20 0.42
SLC6A2 P23975 4/20 0.42
LMNA P02545 2/20 0.42
CNR1 P21554 1/20 0.42
HTR2A P28223 1/20 0.42
HRH1 P35367 1/20 0.42
HRH3 Q9Y5N1 1/20 0.42
CHRM2 P08172 2/20 0.39
CHRM1 P11229 2/20 0.39
CHRM4 P08173 1/20 0.39
CHRM3 P20309 1/20 0.39
GRIN1 Q05586 1/20 0.38
GRIN2A Q12879 1/20 0.38
GRIN2B Q13224 1/20 0.38

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
SCHEMBL1671921 0.82 SLC6A2 (0.55) GAAALDH1A1SLC6A4SLC6A3SLC6A2
3-Methoxyphenylacetonitrile SCHEMBL3712618 0.73 SLC6A2 (0.49) GAASLC6A4SLC6A3SLC6A2LMNA
SCHEMBL16675669 0.73 SLC6A4 (0.51) SLC6A4SLC6A3SLC6A2LMNACNR1
SCHEMBL754487 0.72 SLC6A2 (0.45) GAAALDH1A1SLC6A4SLC6A3SLC6A2
SCHEMBL5815212 0.72 SLC6A2 (0.57) SLC6A4SLC6A3SLC6A2LMNACNR1
SCHEMBL16675664 0.71 SLC6A4 (0.49) GAASLC6A4SLC6A3SLC6A2LMNA
SCHEMBL6392452 0.71 SLC6A2 (0.71) SLC6A4SLC6A3SLC6A2LMNACNR1
SCHEMBL10807402 0.71 SLC6A2 (0.38) GAAALDH1A1SLC6A4SLC6A3SLC6A2
SCHEMBL3938391 0.70 SLC6A2 (0.48) GAAALDH1A1SLC6A4SLC6A3SLC6A2
SCHEMBL11918397 0.68 SLC6A4 (0.49) SLC6A4SLC6A3SLC6A2LMNACNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9399634-B2 Compositions and methods for the treatment of depression CELLIX BIO PRIVATE LIMITED (IN) 2016-07-26 US disclosed
US-9399634-B2 Compositions and methods for the treatment of depression CELLIX BIO PRIVATE LIMITED (IN) 2016-07-26 US disclosed
US-20150119453-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF DEPRESSION CELLIX BIO PRIVATE LIMITED (IN) 2015-04-30 US disclosed
US-20150119453-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF DEPRESSION CELLIX BIO PRIVATE LIMITED (IN) 2015-04-30 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 (1 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-20150119453-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF DEPRESSION BRCA1, APC, MSH2 GAA 2596/4885ALDH1A1 1902/4885SLC6A4 19/4885

“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.