SCHEMBL19489648

SCHEMBL19489648

COC(=O)Cc1c(Cl)cnc2c1cnn2C1CCCCO1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.38
RXRB P28702 1/20 0.38
RXRG P48443 1/20 0.38
PDE8B O95263 1/20 0.36
CYP4F2 P78329 3/20 0.36
CYP4A11 Q02928 3/20 0.36
NR3C1 P04150 1/20 0.35
PDE5A O76074 1/20 0.34
YTHDC1 Q96MU7 1/20 0.34
RET P07949 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
ATR Q13535 1/20 0.33
P2RY12 Q9H244 1/20 0.33
SLC6A3 Q01959 4/20 0.33
DGAT2 Q96PD7 1/20 0.32
PDE4B Q07343 1/20 0.32

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
SCHEMBL19464063 0.88 RXRA (0.46) RXRARXRBRXRGPDE8BCYP4F2
SCHEMBL29705837 0.88 RXRA (0.46) RXRARXRBRXRGPDE8BCYP4F2
SCHEMBL19463519 0.79 SLC6A3 (0.39) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL20874194 0.77 SLC6A3 (0.37) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL29705852 0.76 LMNA (0.39) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL19464241 0.76 LMNA (0.39) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL19463518 0.76 ALDH1A1 (0.48) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL19463295 0.76 NR3C1 (0.46) NR3C1ALDH1A1LMNAPDE4B
SCHEMBL19915968 0.76 RXRA (0.45) RXRARXRBRXRGPDE8BCYP4F2
SCHEMBL31211036 0.75 CYP4F2 (0.38) RXRARXRBRXRGCYP4F2CYP4A11

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
US-10370355-B2 Tetrahydroisoquinoline derivatives UCB BIOPHARMA SPRL (BE) 2019-08-06 US disclosed
US-20190106406-A1 Tetrahydroisoquinoline Derivatives UCB BIOPHARMA SPRL (BE) 2019-04-11 US disclosed
WO-2017178377-A1 TETRAHYDROISOQUINOLINE DERIVATIVES UCB BIOPHARMA SPRL (BE) 2017-10-19 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 (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-20190106406-A1 Tetrahydroisoquinoline Derivatives GPR52, GRK3, GPR3 RXRA 932/4885RXRB 819/4885RXRG 522/4885
US-10370355-B2 Tetrahydroisoquinoline derivatives GPR52, GRK3, GPR3 RXRA 932/4885RXRB 819/4885RXRG 522/4885

“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.