SCHEMBL6716630

SCHEMBL6716630

Oc1ccc2c(c1)CCN(c1ccccc1)C2Cc1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 13/20 1.00
ESR2 Q92731 12/20 1.00
DRD2 P14416 2/20 0.54
DRD1 P21728 2/20 0.54
GRM5 P41594 1/20 0.48
GRIN1 Q05586 1/20 0.48
GRIN2B Q13224 1/20 0.48
SIGMAR1 Q99720 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
SCHEMBL5524037 0.96 ESR1 (0.92) ESR1ESR2DRD2DRD1GRM5
SCHEMBL5105837 0.92 ESR1 (0.86) ESR1ESR2DRD2DRD1GRM5
SCHEMBL5106671 0.91 ESR1 (0.84) ESR1ESR2DRD2DRD1
SCHEMBL14381982 0.91 ESR1 (0.84) ESR1ESR2DRD2DRD1GRM5
SCHEMBL14382004 0.85 ESR1 (0.73) ESR1ESR2DRD2DRD1
SCHEMBL5103165 0.84 ESR1 (0.73) ESR1ESR2DRD2DRD1GRIN1
SCHEMBL5102475 0.83 ESR1 (0.71) ESR1ESR2DRD2DRD1
SCHEMBL5108754 0.83 ESR1 (0.71) ESR1ESR2DRD2DRD1
SCHEMBL14032145 0.83 ESR1 (0.70) ESR1ESR2DRD2DRD1GRIN1
SCHEMBL14032353 0.81 ESR1 (0.75) ESR1ESR2DRD2

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 ESR1 2/4885ESR2 3/4885DRD2 617/4885
US-20030220494-A1 Tetrahydroisoquinoline compounds as estrogen agonists/antagonists GPER1, ESR1, ESR2 ESR1 2/4885ESR2 3/4885DRD2 617/4885
US-20040192685-A1 Tetrahydroisoquinoline compounds as estrogen agonists/antagonists GPER1, ESR1, ESR2 ESR1 2/4885ESR2 3/4885DRD2 617/4885

“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.