SCHEMBL9055340

SCHEMBL9055340

CCCSC(=O)Nc1cc2c3c(c1)[C@](C)(c1ccccc1)CCN3CC[C@H]2c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
FSHR P23945 5/20 0.33
TSHR P16473 3/20 0.33
BACE1 P56817 1/20 0.33
RIPK1 Q13546 1/20 0.31
FFAR4 Q5NUL3 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
SCHEMBL9058303 0.89 FSHR (0.34) ALDH1A1FSHRTSHR
SCHEMBL2391024 0.87 ALDH1A1 (0.43) ALDH1A1NPSR1FSHRTSHR
SCHEMBL2390544 0.87 ALDH1A1 (0.43) ALDH1A1NPSR1FSHRTSHR
SCHEMBL8988951 0.86 ALDH1A1 (0.44) ALDH1A1NPSR1RIPK1FFAR4
SCHEMBL9057079 0.85 TSHR (0.41) FSHRTSHR
SCHEMBL9055088 0.84 TSHR (0.40) TSHR
SCHEMBL9057067 0.84 FSHR (0.37) ALDH1A1FSHRTSHR
SCHEMBL9056297 0.82 FSHR (0.35) FSHRTSHR
SCHEMBL14233580 0.79 TSHR (0.39) FSHRTSHR
SCHEMBL13619993 0.79 RIPK1 (0.38) ALDH1A1NPSR1RIPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8188279-B2 Therapeutically useful substituted hydropyrido [3,2,1-ij] quinoline compounds ALLERGAN, INC. (US) 2012-05-29 US disclosed
US-20110237797-A1 THERAPEUTICALLY USEFUL SUBSTITUTED HYDROPYRIDO [3,2,1-ij] QUINOLINE COMPOUNDS ALLERGAN, INC. (US) 2011-09-29 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-20110237797-A1 THERAPEUTICALLY USEFUL SUBSTITUTED HYDROPYRIDO [3,2,1-ij] QUINOLINE COMPOUNDS NQO2, NDUFA3, NDUFB7 ALDH1A1 466/4885NPSR1 1233/4885FSHR 3138/4885

“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.