SCHEMBL16518013

SCHEMBL16518013

Fc1cccc(-c2cccc3c2CNCC3)c1F

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PRCP P42785 1/20 0.59
▸ PNMT P11086 8/20 0.51
▸ CD44 P16070 2/20 0.43
▸ MAOB P27338 1/20 0.43
▸ ADRA2A P08913 1/20 0.40
▸ ADRA2B P18089 1/20 0.40
▸ ADRA2C P18825 1/20 0.40
▸ HTR2A P28223 1/20 0.39
▸ HTR2C P28335 1/20 0.39
▸ HTR2B P41595 1/20 0.39
▸ CHRM2 P08172 1/20 0.39
▸ CHRM4 P08173 1/20 0.39
▸ CHRM5 P08912 1/20 0.39
▸ CHRM1 P11229 1/20 0.39
▸ CHRM3 P20309 1/20 0.39

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
SCHEMBL16518079 0.85 PRCP (0.61) PRCPPNMTCD44MAOBADRA2A
SCHEMBL3052029 0.83 PNMT (0.61) PRCPPNMTCD44MAOBADRA2A
SCHEMBL16518132 0.83 PRCP (0.58) PRCPPNMTCD44MAOBADRA2A
Hydrochloric Acid SCHEMBL2258194 0.81 PNMT (0.59) PRCPPNMTCD44MAOBADRA2A
SCHEMBL16518127 0.80 PRCP (0.55) PRCPPNMTCD44MAOBADRA2A
SCHEMBL16518136 0.79 PNMT (0.62) PRCPPNMTCD44MAOBADRA2A
SCHEMBL16518137 0.79 PRCP (0.54) PRCPPNMTCD44MAOBADRA2A
SCHEMBL16518022 0.78 PRCP (0.56) PRCPPNMTCD44MAOBADRA2A
SCHEMBL16518140 0.78 PRCP (0.52) PRCPPNMTCD44MAOBADRA2A
SCHEMBL16518130 0.78 PNMT (0.53) PRCPPNMTADRA2AADRA2BADRA2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2671869-B1 TETRAHYDROISOQUINOLINE DERIVATIVE ASTELLAS PHARMA INC (JP) 2015-11-04 — — EP disclosed
EP-2671869-B1 TETRAHYDROISOQUINOLINE DERIVATIVE ASTELLAS PHARMA INC (JP) 2015-11-04 — — EP disclosed
CN-103339109-B Tetrahydroisoquinoline derivative ASTELLAS PHARMA INC 2015-04-29 — — CN disclosed
US-8962612-B2 Tetrahydroisoquinoline derivative ASTELLAS PHARMA INC. (JP) 2015-02-24 — — US disclosed
US-8962612-B2 Tetrahydroisoquinoline derivative ASTELLAS PHARMA INC. (JP) 2015-02-24 — — US disclosed
US-8962612-B2 Tetrahydroisoquinoline derivative ASTELLAS PHARMA INC. (JP) 2015-02-24 — — US disclosed
EP-2671869-A1 TETRAHYDROISOQUINOLINE DERIVATIVE Astellas Pharma Inc. (JP) 2013-12-11 — — EP disclosed
US-20130317010-A1 TETRAHYDROISOQUINOLINE DERIVATIVE ASTELLAS PHARMA INC (JP) 2013-11-28 — — US disclosed
CN-103339109-A Tetrahydroisoquinoline derivative ASTELLAS PHARMA INC 2013-10-02 — — CN 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-20130317010-A1 TETRAHYDROISOQUINOLINE DERIVATIVE HTR5A, HTR2A, HTR1A PRCP 4326/4885PNMT 219/4885CD44 4064/4885

“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.

Send feedback