SCHEMBL20183068

SCHEMBL20183068

COc1cc2c(cc1C(C)O)N(C)CCO2

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.43
PDE10A Q9Y233 1/20 0.42
KMT2A Q03164 1/20 0.41
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
LMNA P02545 1/20 0.38
THRB P10828 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
GHSR Q92847 1/20 0.36
POLB P06746 1/20 0.36
AR P10275 1/20 0.36
NOTUM Q6P988 1/20 0.36
MGAM O43451 1/20 0.36
GAA P10253 1/20 0.36
SI P14410 1/20 0.36
MGAM2 Q2M2H8 1/20 0.36
KCNH2 Q12809 1/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL1494287 0.89 RXFP1 (0.45) RXFP1PDE10AKMT2ACYP11B1CYP11B2
SCHEMBL22894327 0.81 CYP11B1 (0.40) KMT2ACYP11B1CYP11B2TDP1L3MBTL1
SCHEMBL2149619 0.80 RXFP1 (0.40) RXFP1PDE10AKMT2ALMNATHRB
SCHEMBL27434483 0.78 RXFP1 (0.56) RXFP1PDE10AKMT2ACYP11B1CYP11B2
SCHEMBL30954136 0.78 RXFP1 (0.56) RXFP1PDE10AKMT2ACYP11B1CYP11B2
SCHEMBL30954097 0.77 POLB (0.47) RXFP1PDE10AKMT2ACYP11B1CYP11B2
SCHEMBL27432476 0.77 RXFP1 (0.46) RXFP1PDE10AKMT2ACYP11B1CYP11B2
SCHEMBL27433242 0.77 POLB (0.47) RXFP1PDE10AKMT2ACYP11B1CYP11B2
SCHEMBL1494271 0.75 RXFP1 (0.46) RXFP1PDE10AKMT2ALMNATHRB
SCHEMBL22420325 0.74 PDE10A (0.47) RXFP1PDE10AKMT2ACYP11B1CYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180141919-A1 DIAMINOPYRIMIDINES AS P2X3 AND P2X2/3 ANTAGONISTS ROCHE PALO ALTO LLC (US) 2018-05-24 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-20180141919-A1 DIAMINOPYRIMIDINES AS P2X3 AND P2X2/3 ANTAGONISTS P2RX3, P2RX6, P2RX2 RXFP1 145/4885PDE10A 802/4885KMT2A 3706/4885

“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.