SCHEMBL6716308

SCHEMBL6716308

COc1ccc(C(=O)CN(Cc2ccccc2)Cc2cccc(OC)c2)cc1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEP1B Q16820 3/20 0.59
MEP1A Q16819 1/20 0.58
TAS2R14 Q9NYV8 5/20 0.57
CALM1 P0DP23 1/20 0.55
CAMKK2 Q96RR4 1/20 0.55
NPC1 O15118 2/20 0.55
RAB9A P51151 2/20 0.55
ACHE P22303 1/20 0.53
SLC2A1 P11166 3/20 0.52
SLC2A4 P14672 1/20 0.52
ALDH1A1 P00352 1/20 0.51
PTGES O14684 1/20 0.51
ALOX5 P09917 1/20 0.51
LPAR1 Q92633 1/20 0.51
LPAR5 Q9H1C0 1/20 0.51
HSD17B2 P37059 1/20 0.50
NR1H3 Q13133 1/20 0.48

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
SCHEMBL1037167 0.89 SLC2A1 (0.55) MEP1BMEP1ATAS2R14NPC1RAB9A
SCHEMBL2062287 0.85 CALM1 (0.62) MEP1BMEP1ATAS2R14CALM1CAMKK2
SCHEMBL10887096 0.81 MEP1B (0.53) MEP1BMEP1ATAS2R14CALM1CAMKK2
SCHEMBL19510228 0.80 MEP1B (0.78) MEP1BMEP1A
SCHEMBL31260532 0.80 MEP1B (0.78) MEP1BMEP1A
SCHEMBL2061494 0.80 MEP1B (0.56) MEP1BMEP1ATAS2R14CALM1CAMKK2
SCHEMBL13760890 0.78 MEP1B (0.49) MEP1BMEP1ATAS2R14CALM1CAMKK2
SCHEMBL2934845 0.78 NPC1 (0.66) NPC1RAB9AALDH1A1
SCHEMBL11286611 0.77 ACHE (0.53) MEP1BMEP1ATAS2R14NPC1RAB9A
SCHEMBL11755258 0.77 MEP1B (0.54) MEP1BMEP1ANPC1RAB9AALDH1A1

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 MEP1B 826/4885MEP1A 1184/4885TAS2R14 3875/4885
US-20030220494-A1 Tetrahydroisoquinoline compounds as estrogen agonists/antagonists GPER1, ESR1, ESR2 MEP1B 826/4885MEP1A 1184/4885TAS2R14 3875/4885
US-20040192685-A1 Tetrahydroisoquinoline compounds as estrogen agonists/antagonists GPER1, ESR1, ESR2 MEP1B 826/4885MEP1A 1184/4885TAS2R14 3875/4885

“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.