SCHEMBL6716154

SCHEMBL6716154

c1ccc(COc2ccc(C3=NCCc4ccccc43)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSTP1 P09211 2/20 0.48
MAOB P27338 4/20 0.44
MAOA P21397 3/20 0.44
LMNA P02545 2/20 0.44
CYP1A2 P05177 1/20 0.44
PTGS1 P23219 1/20 0.44
SLC6A2 P23975 1/20 0.44
CYP2C19 P33261 1/20 0.44
PTGS2 P35354 1/20 0.44
SLC6A3 Q01959 1/20 0.44
HIF1A Q16665 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
FDFT1 P37268 1/20 0.43
RAB9A P51151 4/20 0.43
NPC1 O15118 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
GAA P10253 2/20 0.43
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CA7 P43166 2/20 0.43

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
SCHEMBL6722898 0.85 CA1 (0.60) GSTP1MAOBMAOALMNACA1
Hydrochloric Acid SCHEMBL6716745 0.84 CA1 (0.58) GSTP1MAOBMAOALMNACA1
SCHEMBL21063704 0.84 APP (0.42) LMNARAB9ANPC1SMN1; SMN2CA1
SCHEMBL22776060 0.83 MAOA (0.50) GSTP1MAOBMAOALMNACA1
SCHEMBL29560967 0.83 MAOA (0.50) GSTP1MAOBMAOALMNACA1
SCHEMBL29384557 0.79 MAPK10 (0.55) MAOALMNACA1CA2CA7
SCHEMBL163051 0.79 MAPK10 (0.55) MAOALMNACA1CA2CA7
SCHEMBL12567716 0.79 ALDH1A1 (0.65) MAOALMNACA1CA2CA7
SCHEMBL29498350 0.79 ALDH1A1 (0.65) MAOALMNACA1CA2CA7
SCHEMBL29498357 0.79 ALDH1A1 (0.65) MAOALMNACA1CA2CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040192685-A1 Tetrahydroisoquinoline compounds as estrogen agonists/antagonists CAMERON KIMBERLY O (US) 2004-09-30 US disclosed
US-20030220494-A1 Tetrahydroisoquinoline compounds as estrogen agonists/antagonists CAMERON KIMBERLY O (US) 2003-11-27 US disclosed
US-6608203-B2 Devoid of unwanted side effects PFIZER INC. 2003-08-19 US disclosed
US-20010039285-A1 Tetrahydroisoquinoline compounds as estrogen agonists/antagonists CAMERON KIMBERLY O (US) 2001-11-08 US disclosed
EP-1113007-A1 Tetrahydroisoquinoline compounds as estrogen agonists/antagonists PFIZER INC. (US) 2001-07-04 EP 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 (3 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-20010039285-A1 Tetrahydroisoquinoline compounds as estrogen agonists/antagonists GPER1, ESR1, ESR2 GSTP1 2901/4885MAOB 881/4885MAOA 1118/4885
US-20030220494-A1 Tetrahydroisoquinoline compounds as estrogen agonists/antagonists GPER1, ESR1, ESR2 GSTP1 2901/4885MAOB 881/4885MAOA 1118/4885
US-20040192685-A1 Tetrahydroisoquinoline compounds as estrogen agonists/antagonists GPER1, ESR1, ESR2 GSTP1 2901/4885MAOB 881/4885MAOA 1118/4885

“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.