SCHEMBL19463518

SCHEMBL19463518

Nc1c(Cl)cnc2c1cnn2C1CCCCO1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.48
LMNA P02545 2/20 0.48
POLB P06746 1/20 0.48
RET P07949 5/20 0.40
YTHDC1 Q96MU7 1/20 0.37
CYP4F2 P78329 3/20 0.37
CYP4A11 Q02928 3/20 0.37
TP53 P04637 2/20 0.34
HSD17B10 Q99714 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
CYP2C9 P11712 1/20 0.34
NFKB1 P19838 1/20 0.34
MAPK1 P28482 1/20 0.34
APEX1 P27695 1/20 0.34
PI4KA P42356 1/20 0.34
BLM P54132 1/20 0.34
ADCY1 Q08828 1/20 0.34
PI4K2B Q8TCG2 1/20 0.34
PI4K2A Q9BTU6 1/20 0.34

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
SCHEMBL19464241 0.85 LMNA (0.39) ALDH1A1LMNAPOLBRETYTHDC1
SCHEMBL27215222 0.85 ALDH1A1 (0.45) ALDH1A1LMNAPOLBRETYTHDC1
SCHEMBL31248171 0.85 ALDH1A1 (0.45) ALDH1A1LMNAPOLBRETYTHDC1
SCHEMBL29705440 0.85 ALDH1A1 (0.45) ALDH1A1LMNAPOLBRETYTHDC1
SCHEMBL29705852 0.85 LMNA (0.39) ALDH1A1LMNAPOLBRETYTHDC1
SCHEMBL29705484 0.81 CYP4F2 (0.42) ALDH1A1LMNAPOLBYTHDC1CYP4F2
SCHEMBL16793799 0.81 CYP4F2 (0.42) ALDH1A1LMNAPOLBYTHDC1CYP4F2
SCHEMBL31585725 0.80 LMNA (0.45) ALDH1A1LMNAPOLBRETYTHDC1
SCHEMBL1128620 0.79 CYP2C19 (0.41) ALDH1A1LMNAPOLBRETYTHDC1
SCHEMBL19464063 0.79 RXRA (0.46) ALDH1A1LMNAPOLBRETYTHDC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3442945-B1 TETRAHYDROISOQUINOLINE DERIVATIVES UCB Biopharma SRL (BE) 2020-07-08 EP disclosed
US-10370355-B2 Tetrahydroisoquinoline derivatives UCB BIOPHARMA SPRL (BE) 2019-08-06 US disclosed
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
US-20190106406-A1 Tetrahydroisoquinoline Derivatives UCB BIOPHARMA SPRL (BE) 2019-04-11 US disclosed
EP-3442945-A1 TETRAHYDROISOQUINOLINE DERIVATIVES UCB Biopharma SPRL (BE) 2019-02-20 EP disclosed
WO-2017178377-A1 TETRAHYDROISOQUINOLINE DERIVATIVES UCB BIOPHARMA SPRL (BE) 2017-10-19 WO 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 ALDH1A1 1311/4885LMNA 4378/4885POLB 3242/4885
US-10370355-B2 Tetrahydroisoquinoline derivatives GPR52, GRK3, GPR3 ALDH1A1 1311/4885LMNA 4378/4885POLB 3242/4885

“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.