SCHEMBL19489605

SCHEMBL19489605

C[C@@H]1NCCc2c1cccc2C(C)(O)C(F)F

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 3/20 0.34
HTR2A P28223 2/20 0.34
MAOA P21397 5/20 0.34
DRD2 P14416 2/20 0.34
HSD17B10 Q99714 2/20 0.34
TSHR P16473 2/20 0.34
KDM4E B2RXH2 1/20 0.34
CYP2C9 P11712 1/20 0.34
DRD3 P35462 1/20 0.34
HIF1A Q16665 1/20 0.34
DRD4 P21917 1/20 0.34
GID4 Q8IVV7 2/20 0.31
PRCP P42785 1/20 0.31
HTR2B P41595 1/20 0.30
CYP2D6 P10635 1/20 0.30
ALDH1A1 P00352 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
Hydrochloric Acid SCHEMBL29705827 0.99 HTR2C (0.36) HTR2CHTR2AMAOADRD2HSD17B10
Hydrochloric Acid SCHEMBL19464268 0.99 HTR2C (0.36) HTR2CHTR2AMAOADRD2HSD17B10
SCHEMBL19489539 0.81 MAOA (0.34) HTR2CHTR2AMAOADRD2HSD17B10
SCHEMBL19489410 0.81 MAOA (0.34) HTR2CHTR2AMAOADRD2HSD17B10
SCHEMBL19489661 0.81 MAOA (0.34) HTR2CHTR2AMAOADRD2HSD17B10
SCHEMBL22870615 0.81 MAOA (0.34) HTR2CHTR2AMAOADRD2HSD17B10
Hydrochloric Acid SCHEMBL29607187 0.80 HTR2C (0.34) HTR2CHTR2AMAOADRD2HSD17B10
Hydrochloric Acid SCHEMBL29607281 0.80 HTR2C (0.34) HTR2CHTR2AMAOADRD2HSD17B10
Hydrochloric Acid SCHEMBL29607008 0.80 HTR2C (0.34) HTR2CHTR2AMAOADRD2HSD17B10
Hydrochloric Acid SCHEMBL28825237 0.80 HTR2C (0.34) HTR2CHTR2AMAOADRD2HSD17B10

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 4 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-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 HTR2C 48/4885HTR2A 58/4885MAOA 1713/4885
US-10370355-B2 Tetrahydroisoquinoline derivatives GPR52, GRK3, GPR3 HTR2C 48/4885HTR2A 58/4885MAOA 1713/4885

“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.