SCHEMBL6716749

SCHEMBL6716749

CCOC(=O)/C=C/c1ccc(C(=O)N(c2ccccc2)C(C)c2cccc(OC)c2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 4/20 0.48
MAOB P27338 2/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
APP P05067 1/20 0.44
ABCG2 Q9UNQ0 1/20 0.44
BCHE P06276 1/20 0.43
PTGS2 P35354 1/20 0.42
LMNA P02545 2/20 0.42
NPC1 O15118 1/20 0.42
MAPT P10636 1/20 0.42
HTT P42858 1/20 0.42
RAB9A P51151 1/20 0.42
NR1H4 Q96RI1 1/20 0.42
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41

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
SCHEMBL6715324 0.78 ALOX5 (0.48) TRPM8MAOBMEN1KMT2AAPP
SCHEMBL6715318 0.78 ALOX5 (0.48) TRPM8MAOBMEN1KMT2AAPP
SCHEMBL16924140 0.77 TRPM8 (0.55) TRPM8MAOBMEN1KMT2APTGS2
SCHEMBL1210331 0.72 MAOB (0.60) MAOBMEN1KMT2AABCG2BCHE
SCHEMBL1210329 0.72 MAOB (0.60) MAOBMEN1KMT2AABCG2BCHE
SCHEMBL29421074 0.72 MAOB (0.60) MAOBMEN1KMT2AABCG2BCHE
SCHEMBL18011709 0.71 CA12 (0.65) TRPM8MAOBPTGS2LMNANPC1
SCHEMBL11673887 0.71 CA12 (0.65) TRPM8MAOBPTGS2LMNANPC1
SCHEMBL18011707 0.71 CA12 (0.65) TRPM8MAOBPTGS2LMNANPC1
SCHEMBL28207674 0.71 PDK1 (0.47) TRPM8MEN1KMT2ALMNANPC1

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 TRPM8 905/4885MAOB 881/4885MEN1 746/4885
US-20030220494-A1 Tetrahydroisoquinoline compounds as estrogen agonists/antagonists GPER1, ESR1, ESR2 TRPM8 905/4885MAOB 881/4885MEN1 746/4885
US-20040192685-A1 Tetrahydroisoquinoline compounds as estrogen agonists/antagonists GPER1, ESR1, ESR2 TRPM8 905/4885MAOB 881/4885MEN1 746/4885

“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.