SCHEMBL7598555

SCHEMBL7598555

CCn1nc(-c2c(C)cc(C)cc2C)c(C)c1CN1CCCCC1CO

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CFB P00751 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.37
▸ LMNA P02545 2/20 0.36
▸ SPHK1 Q9NYA1 6/20 0.35
▸ SPHK2 Q9NRA0 3/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ CRHBP P24387 1/20 0.34
▸ CRHR2 Q13324 1/20 0.34
▸ CD274 Q9NZQ7 2/20 0.34
▸ PDCD1 Q15116 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ MCHR1 Q99705 1/20 0.33
▸ CRHR1 P34998 2/20 0.33
▸ POLB P06746 1/20 0.33
▸ TSHR P16473 1/20 0.33

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 0.78 BCL2 (0.33) CRHR1
SCHEMBL7865778 0.72 SMN1; SMN2 (0.38) ALDH1A1SMN1; SMN2CRHR1
SCHEMBL7583915 0.70 CRHR1 (0.33) CRHR1
SCHEMBL7866024 0.68 OPRM1 (0.35) CRHR1
SCHEMBL7589128 0.68 BCL2 (0.32) CRHR1
SCHEMBL7658816 0.67 HTT (0.44) ALDH1A1LMNASMN1; SMN2KMT2APOLB
SCHEMBL8977472 0.64 ALDH1A1 (0.45) CFBALDH1A1SPHK1SPHK2SMN1; SMN2
SCHEMBL6436481 0.64 ALDH1A1 (0.45) CFBALDH1A1SPHK1SPHK2SMN1; SMN2
SCHEMBL14155734 0.64 ALDH1A1 (0.45) CFBALDH1A1SPHK1SPHK2SMN1; SMN2
SCHEMBL1923804 0.62 ALDH1A1 (0.39) CFBALDH1A1SMN1; SMN2CRHBPCRHR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 CFB 1205/4885ALDH1A1 1975/4885LMNA 4662/4885

“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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