SCHEMBL19085085

SCHEMBL19085085

C=C(C)c1cccc(CO)n1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.39
BRD4 O60885 1/20 0.37
NPSR1 Q6W5P4 1/20 0.36
KCNH2 Q12809 2/20 0.34
CYP1A2 P05177 1/20 0.32
PGK1 P00558 1/20 0.31
PGK2 P07205 1/20 0.31
KDM4E B2RXH2 2/20 0.31
ALOX15 P16050 1/20 0.31
TSHR P16473 1/20 0.31
ACMSD Q8TDX5 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
MRGPRX4 Q96LA9 1/20 0.31
P2RX7 Q99572 2/20 0.31
HRH4 Q9H3N8 1/20 0.31
LMNA P02545 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
SCHEMBL19836670 0.84 KCNH2 (0.38) BRD4NPSR1KCNH2CYP1A2HRH4
SCHEMBL13793158 0.80 KDM4E (0.46) CYP1A2KDM4EALOX15TSHRACMSD
SCHEMBL1054149 0.80 NPSR1 (0.44) CCR1BRD4NPSR1CYP1A2PGK1
SCHEMBL15493831 0.80 CCR1 (0.39) CCR1BRD4NPSR1KCNH2CYP1A2
SCHEMBL30952862 0.80 NPSR1 (0.44) CCR1BRD4NPSR1CYP1A2PGK1
SCHEMBL2933586 0.77 KDM4E (0.47) CCR1BRD4NPSR1KCNH2KDM4E
SCHEMBL2933584 0.77 KDM4E (0.47) CCR1BRD4NPSR1KCNH2KDM4E
Alcohol SCHEMBL4865562 0.77 NPSR1 (0.42) CCR1BRD4NPSR1KCNH2CYP1A2
SCHEMBL15493758 0.76 CCR1 (0.35) CCR1BRD4NPSR1KCNH2CYP1A2
SCHEMBL9356159 0.75 KDM4E (0.43) CCR1BRD4NPSR1CYP1A2PGK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020198537-A1 MODULATORS OF MAS-RELATED G-PROTEIN RECEPTOR X4 AND RELATED PRODUCTS AND METHODS ESCIENT PHARMACEUTICALS, INC. (US) 2020-10-01 WO disclosed
US-10016410-B2 Tetrahydroisoquinolin-1-one derivative or salt thereof SELDAR PHARMA INC. (US) 2018-07-10 US disclosed
US-20170189390-A1 TETRAHYDROISOQUINOLIN-1-ONE DERIVATIVE OR SALT THEREOF SELDAR PHARMA INC. (US) 2017-07-06 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 (2 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-20170189390-A1 TETRAHYDROISOQUINOLIN-1-ONE DERIVATIVE OR SALT THEREOF BRS3, BDKRB2, NTSR2 CCR1 1669/4885BRD4 75/4885NPSR1 37/4885
US-10016410-B2 Tetrahydroisoquinolin-1-one derivative or salt thereof BRS3, BDKRB2, NTSR2 CCR1 1669/4885BRD4 75/4885NPSR1 37/4885

“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.