SCHEMBL20360796

SCHEMBL20360796

Fc1ccc(CCOc2cnc(Cl)nc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ELOVL1 Q9BW60 4/20 0.42
HTR2C P28335 1/20 0.42
SLC6A4 P31645 1/20 0.42
HTR2B P41595 1/20 0.42
MAOB P27338 4/20 0.41
MAOA P21397 1/20 0.40
TAAR1 Q96RJ0 1/20 0.39
DRD2 P14416 1/20 0.39
DRD4 P21917 1/20 0.39
DRD3 P35462 1/20 0.39
GPR84 Q9NQS5 1/20 0.39
SLC2A1 P11166 1/20 0.39
LTA4H P09960 1/20 0.38
PPARG P37231 1/20 0.38
PPARA Q07869 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
SCHEMBL31447193 0.84 NPC1 (0.53) MAOBMAOADRD2DRD4DRD3
SCHEMBL30792263 0.84 MAOB (0.53) MAOBMAOA
SCHEMBL20361166 0.80 HTR2C (0.41) ELOVL1HTR2CSLC6A4HTR2BMAOB
SCHEMBL15079869 0.78 MAOB (0.58) MAOBMAOATAAR1LTA4H
SCHEMBL9900937 0.77 PIN1 (0.49) ELOVL1HTR2CSLC6A4HTR2BMAOB
SCHEMBL20361384 0.76 ELOVL1 (0.43) ELOVL1MAOBMAOALTA4H
SCHEMBL20372183 0.76 MAOB (0.43) ELOVL1MAOBMAOALTA4H
SCHEMBL20361450 0.74 LMNA (0.41) ELOVL1HTR2CSLC6A4HTR2BTAAR1
SCHEMBL15578302 0.73 MEN1 (0.46) LTA4H
SCHEMBL25171202 0.73 NPC1 (0.39) HTR2CHTR2BTAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200055839-A1 PYRIDIN-3-YL ACETIC ACID DERIVATIVES AS INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV Healthcare UK (No.5) Limited (GB) 2020-02-20 US disclosed
US-20200055839-A1 PYRIDIN-3-YL ACETIC ACID DERIVATIVES AS INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV Healthcare UK (No.5) Limited (GB) 2020-02-20 US disclosed
EP-3565809-A1 PYRIDIN-3-YL ACETIC ACID DERIVATIVES AS INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION ViiV Healthcare UK (No.5) Limited (GB) 2019-11-13 EP disclosed
WO-2018127800-A1 PYRIDIN-3-YL ACETIC ACID DERIVATIVES AS INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV Healthcare UK (No.5) Limited (GB) 2018-07-12 WO disclosed
WO-2018127800-A1 PYRIDIN-3-YL ACETIC ACID DERIVATIVES AS INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV Healthcare UK (No.5) Limited (GB) 2018-07-12 WO 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-20200055839-A1 PYRIDIN-3-YL ACETIC ACID DERIVATIVES AS INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION TYMP, TYMS, DUT ELOVL1 1031/4885HTR2C 4186/4885SLC6A4 3671/4885

“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.