SCHEMBL7583915

SCHEMBL7583915

CCCn1nc(-c2c(C)cc(C)cc2C)c(C)c1CN1Cc2ccccc2CC1CO

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CRHR1 P34998 2/20 0.33
▸ BCL2 P10415 14/20 0.32
▸ BAD Q92934 2/20 0.32
▸ SLC5A1 P13866 1/20 0.31
▸ SLC5A2 P31639 1/20 0.31
▸ OPRM1 P35372 1/20 0.30
▸ OPRD1 P41143 1/20 0.30
▸ OPRK1 P41145 1/20 0.30

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
SCHEMBL7580168 0.92 BCL2 (0.33) CRHR1BCL2OPRM1OPRD1OPRK1
SCHEMBL7582965 0.89 OPRM1 (0.35) CRHR1BCL2BADSLC5A1SLC5A2
SCHEMBL7589128 0.83 BCL2 (0.32) CRHR1BCL2OPRM1OPRD1OPRK1
SCHEMBL7866024 0.81 OPRM1 (0.35) CRHR1BCL2BADOPRM1OPRD1
SCHEMBL7583200 0.77 HTT (0.42) —
SCHEMBL7589160 0.72 OPRM1 (0.36) BCL2BADOPRM1OPRD1OPRK1
SCHEMBL14879167 0.71 HTR1A (0.40) —
SCHEMBL7593158 0.71 OPRM1 (0.37) BCL2BADSLC5A1SLC5A2OPRM1
SCHEMBL8330304 0.70 BCL2 (0.36) CRHR1BCL2BADOPRM1OPRD1
SCHEMBL8329405 0.70 BCL2 (0.36) CRHR1BCL2BADOPRM1OPRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020042422-A1 Certain pyrazole derivatives as corticotropin-releasing factor CRF1 ligands NEUROGEN CORPORATION 2002-04-11 — — US claimed
EP-0941223-A1 CERTAIN PYRAZOLE DERIVATIVES AS CORTICOTROPIN-RELEASING FACTOR RECEPTOR CRF1 SPECIFIC LIGANDS NEUROGEN CORPORATION (US) 1999-09-15 — — EP claimed
WO-1998021200-A1 CERTAIN PYRAZOLE DERIVATIVES AS CORTICOTROPIN-RELEASING FACTOR RECEPTOR CRF1 SPECIFIC LIGANDS NEUROGEN CORPORATION (US) 1998-05-22 — — WO claimed
US-6469041-B2 PSYCHOLOGICAL DISORDERS NEUROGEN CORPORATION 2002-10-22 — — US disclosed
US-20020042422-A1 Certain pyrazole derivatives as corticotropin-releasing factor CRF1 ligands NEUROGEN CORPORATION 2002-04-11 — — US disclosed
US-6300360-B1 FOR THERAPY OF STRESS RELATED DISORDERS SUCH AS POST TRAUMATIC STRESS DISORDER (PTSD) AS WELL AS DEPRESSION, HEADACHE AND ANXIETY NEUROGEN CORPORATION 2001-10-09 — — US disclosed
US-6127399-A TREATING POST TRAUMATIC STRESS DISORDER AS WELL AS DEPRESSION, HEADACHE AND ANXIETY NEUROGEN CORPORATION (US) 2000-10-03 — — US disclosed
US-5973152-A Certain pyrazole derivatives as corticotropin-releasing factor receptor CRF1 specific ligands NEUROGEN CORPORATION 1999-10-26 — — US disclosed
EP-0941223-A1 CERTAIN PYRAZOLE DERIVATIVES AS CORTICOTROPIN-RELEASING FACTOR RECEPTOR CRF1 SPECIFIC LIGANDS NEUROGEN CORPORATION (US) 1999-09-15 — — EP disclosed
WO-1998021200-A1 CERTAIN PYRAZOLE DERIVATIVES AS CORTICOTROPIN-RELEASING FACTOR RECEPTOR CRF1 SPECIFIC LIGANDS NEUROGEN CORPORATION (US) 1998-05-22 — — WO 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-20020042422-A1 Certain pyrazole derivatives as corticotropin-releasing factor CRF1 ligands CRH, CRHR1, CRHR2 CRHR1 2/4885BCL2 4733/4885BAD 1914/4885

“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.

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