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Sugi Predict / Compounds / SCHEMBL18325631

SCHEMBL18325631

SCHEMBL18325631

CN(Cc1cc(O)cc(C#C[Si](C)(C)C)c1)C(=O)OC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HTR2C P28335 7/20 0.36
▸ SLC6A4 P31645 7/20 0.36
▸ GABRA1 P14867 4/20 0.35
▸ GABRA5 P31644 4/20 0.35
▸ GABRG2 P18507 3/20 0.35
▸ GABRB3 P28472 3/20 0.35
▸ GABRA3 P34903 3/20 0.35
▸ GABRA2 P47869 3/20 0.35
▸ GABRA6 Q16445 3/20 0.35
▸ CACNA1G O43497 1/20 0.35
▸ CACNA1B Q00975 1/20 0.35
▸ CACNA1C Q13936 1/20 0.35
▸ GLS O94925 2/20 0.34
▸ GABRA4 P48169 2/20 0.32
▸ HTR2A P28223 1/20 0.32
▸ CTSL P07711 1/20 0.31
▸ CTSB P07858 1/20 0.31
▸ CTSS P25774 1/20 0.31
▸ GABRB2 P47870 1/20 0.31

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
SCHEMBL2767682 0.83 GLS (0.44) HTR2CSLC6A4GABRA1GABRA5GABRG2
SCHEMBL18325644 0.83 HTR2C (0.36) HTR2CSLC6A4GABRA1GABRA5GABRG2
SCHEMBL18325638 0.83 HSD17B1 (0.38) HTR2CSLC6A4CACNA1GCACNA1BCACNA1C
SCHEMBL18325643 0.77 HTR2C (0.39) HTR2CSLC6A4CACNA1GCACNA1BCACNA1C
SCHEMBL18327669 0.76 RIPK1 (0.40) HTR2CSLC6A4CACNA1GCACNA1BCACNA1C
SCHEMBL18327666 0.76 CALM1 (0.46) HTR2CSLC6A4GABRA1GABRG2GABRB3
SCHEMBL18327668 0.76 HTR2C (0.41) HTR2CSLC6A4CACNA1GCACNA1BCACNA1C
SCHEMBL31242477 0.75 L3MBTL1 (0.34) HTR2CSLC6A4GABRA1GABRA5GABRG2
SCHEMBL2229917 0.73 MTOR (0.48) HTR2CSLC6A4GLSCTSLCTSB
SCHEMBL16947896 0.73 HTR2C (0.41) HTR2CSLC6A4CACNA1GCACNA1BCACNA1C

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-9783500-B2 2-aminoquinoline-based compounds for potent and selective neuronal nitric oxide synthase inhibition NORTHWESTERN UNIVERSITY (US) 2017-10-10 — — US disclosed
US-9783500-B2 2-aminoquinoline-based compounds for potent and selective neuronal nitric oxide synthase inhibition NORTHWESTERN UNIVERSITY (US) 2017-10-10 — — US disclosed
US-20160368877-A1 2-Aminoquinoline-Based Compounds for Potent and Selective Neuronal Nitric Oxide Synthase Inhibition NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-12-22 — — US disclosed
US-20160368877-A1 2-Aminoquinoline-Based Compounds for Potent and Selective Neuronal Nitric Oxide Synthase Inhibition NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-12-22 — — 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-20160368877-A1 2-Aminoquinoline-Based Compounds for Potent and Selective Neuronal Nitric Oxide Synthase Inhibition NOS2, NOS3, NOS1 HTR2C 132/4885SLC6A4 140/4885GABRA1 1084/4885

“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.