SCHEMBL7589140

SCHEMBL7589140

CCOC(=O)c1nn(CC)c(-c2c(C)cc(C)cc2C)c1CC

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CRHR1 P34998 1/20 0.40
▸ PDE4A P27815 7/20 0.39
▸ PDE4B Q07343 7/20 0.39
▸ PDE4C Q08493 7/20 0.39
▸ PDE4D Q08499 7/20 0.39
▸ ALDH1A1 P00352 3/20 0.38
▸ NPC1 O15118 2/20 0.38
▸ RAB9A P51151 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ CYP1A2 P05177 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ CA1 P00915 1/20 0.36
▸ CA2 P00918 1/20 0.36
▸ L3MBTL1 Q9Y468 2/20 0.36
▸ KMT2A Q03164 1/20 0.35
▸ ELANE P08246 2/20 0.35
▸ CYP19A1 P11511 1/20 0.35

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
SCHEMBL7597573 0.77 KMT2A (0.40) CRHR1PDE4APDE4BPDE4CPDE4D
SCHEMBL7227582 0.73 ALDH1A1 (0.44) CRHR1ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL21607411 0.72 ELANE (0.41) ALDH1A1KMT2AELANECYP19A1
SCHEMBL22900713 0.67 PDE4A (0.47) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL21607477 0.66 KMT2A (0.39) PDE4APDE4BPDE4CPDE4DNPC1
SCHEMBL21607462 0.66 ELANE (0.43) PDE4APDE4BPDE4CPDE4DKMT2A
SCHEMBL21606074 0.66 KMT2A (0.46) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL3502692 0.66 BRD4 (0.45) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL8174220 0.66 HSD17B10 (0.47) PDE4DALDH1A1SMN1; SMN2CYP1A2CYP2C19
SCHEMBL31467462 0.65 ALDH1A1 (0.41) ALDH1A1NPC1RAB9ASMN1; SMN2CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-5760225-A DIAGNOSIS AND TREATMENT OF STRESS DISORDERS AND DEPRESSION NEUROGEN CORPORATION (US) 1998-06-02 — — US 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 2/4885PDE4A 1531/4885PDE4B 1835/4885

“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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