SCHEMBL19354584

SCHEMBL19354584

O[C@H](Cc1ccc2ccccc2c1)c1nnn[nH]1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.45
HTR2C P28335 1/20 0.45
HTR2B P41595 1/20 0.45
ADRB2 P07550 2/20 0.44
CYP1A2 P05177 2/20 0.40
CYP2A6 P11509 1/20 0.40
SLC6A4 P31645 1/20 0.38
ECE1 P42892 2/20 0.37
MME P08473 1/20 0.37
MEN1 O00255 1/20 0.37
CYP2D6 P10635 1/20 0.37
TSHR P16473 1/20 0.37
KMT2A Q03164 1/20 0.37
HIF1A Q16665 1/20 0.37
MC4R P32245 1/20 0.36
MC5R P33032 1/20 0.36

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
SCHEMBL19354510 1.00 HTR2A (0.45) HTR2AHTR2CHTR2BADRB2CYP1A2
SCHEMBL19354535 0.80 IDO1 (0.43) CYP1A2
SCHEMBL19354261 0.80 IDO1 (0.43) CYP1A2
SCHEMBL19354511 0.74 SLC6A4 (0.41) CYP1A2SLC6A4MEN1CYP2D6KMT2A
SCHEMBL19354586 0.74 SLC6A4 (0.41) CYP1A2SLC6A4MEN1CYP2D6KMT2A
SCHEMBL1247974 0.74 CYP2D6 (0.46) HTR2AHTR2CHTR2BCYP1A2CYP2A6
SCHEMBL15599121 0.71 SIGMAR1 (0.47) CYP1A2CYP2A6SLC6A4CYP2D6KMT2A
SCHEMBL11748582 0.70 HTR2A (0.67) HTR2AHTR2CHTR2BADRB2CYP1A2
SCHEMBL5306693 0.70 HTR2A (0.56) HTR2AHTR2CHTR2BADRB2CYP1A2
SCHEMBL8465868 0.70 HTR2A (0.67) HTR2AHTR2CHTR2BADRB2CYP1A2

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-9765064-B1 Alpha-hydroxy-beta-azido-tetrazoles CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2017-09-19 US disclosed
US-20170260171-A1 ALPHA-HYDROXY-BETA-AZIDO-TETRAZOLES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2017-09-14 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-20170260171-A1 ALPHA-HYDROXY-BETA-AZIDO-TETRAZOLES CYP8B1, HSD3B1, HSD17B1 HTR2A 1733/4885HTR2C 914/4885HTR2B 625/4885

“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.