SCHEMBL7585285

SCHEMBL7585285

COCC1Cc2ccccc2CN1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PNMT P11086 5/20 0.61
PRCP P42785 1/20 0.44
TRPM5 Q9NZQ8 1/20 0.43
ADRA2A P08913 1/20 0.42
ADRA2B P18089 1/20 0.42
ADRA2C P18825 1/20 0.42
OPRM1 P35372 2/20 0.42
OPRL1 P41146 2/20 0.42
CLK2 P49760 1/20 0.40
CLK3 P49761 1/20 0.40
DYRK1A Q13627 1/20 0.40
KCNH2 Q12809 1/20 0.40

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
Hydrochloric Acid SCHEMBL25377106 0.98 PNMT (0.59) PNMTPRCPTRPM5ADRA2AADRA2B
Hydrochloric Acid SCHEMBL31264082 0.98 PNMT (0.59) PNMTPRCPTRPM5ADRA2AADRA2B
SCHEMBL8326838 0.83 PNMT (0.57) PNMTPRCPADRA2AADRA2BADRA2C
SCHEMBL8326841 0.83 PNMT (0.57) PNMTPRCPADRA2AADRA2BADRA2C
SCHEMBL25377761 0.83 PNMT (0.57) PNMTPRCPADRA2AADRA2BADRA2C
SCHEMBL31264062 0.83 PNMT (0.57) PNMTPRCPADRA2AADRA2BADRA2C
SCHEMBL14355729 0.81 PNMT (0.69) PNMTPRCPADRA2AADRA2BADRA2C
SCHEMBL172636 0.81 PNMT (0.69) PNMTPRCPADRA2AADRA2BADRA2C
SCHEMBL13453377 0.81 PNMT (0.69) PNMTPRCPADRA2AADRA2BADRA2C
SCHEMBL8853554 0.79 PNMT (0.71) PNMTPRCPADRA2AADRA2BADRA2C

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6469041-B2 PSYCHOLOGICAL DISORDERS NEUROGEN CORPORATION 2002-10-22 US claimed
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
US-5760225-A DIAGNOSIS AND TREATMENT OF STRESS DISORDERS AND DEPRESSION NEUROGEN CORPORATION (US) 1998-06-02 US claimed
WO-1998021200-A1 CERTAIN PYRAZOLE DERIVATIVES AS CORTICOTROPIN-RELEASING FACTOR RECEPTOR CRF1 SPECIFIC LIGANDS NEUROGEN CORPORATION (US) 1998-05-22 WO claimed
US-9346795-B2 Substituted sulfonamides useful as antiapoptotic Bcl inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-05-24 US disclosed
EP-2714681-B1 SUBSTITUTED SULFONAMIDES USEFUL AS ANTIAPOPTOTIC BCL INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2015-06-24 EP disclosed
US-20150105547-A1 NITRIC OXIDE RELEASING STEROIDS NICOX S.A. (FR) 2015-04-16 US disclosed
US-8933062-B2 Nitric oxide releasing steroids NICOX S.A. (FR) 2015-01-13 US disclosed
US-20140135318-A1 SUBSTITUTED SULFONAMIDES USEFUL AS ANTIAPOPTOTIC BCL INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2014-05-15 US disclosed
US-20100234334-A1 NITRIC OXIDE RELEASING STEROIDS NICOX S.A. (FR) 2010-09-16 US disclosed
US-20100093685-A1 NITRIC OXIDE RELEASING STEROIDS NICOX S.A. 2010-04-15 US disclosed
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 (5 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-20150105547-A1 NITRIC OXIDE RELEASING STEROIDS NR3C1, CYP11B1, NOS1 PNMT 2425/4885PRCP 3476/4885TRPM5 3772/4885
US-20140135318-A1 SUBSTITUTED SULFONAMIDES USEFUL AS ANTIAPOPTOTIC BCL INHIBITORS BCL2, BAX, BCL2A1 PNMT 4542/4885PRCP 2346/4885TRPM5 3322/4885
US-20020042422-A1 Certain pyrazole derivatives as corticotropin-releasing factor CRF1 ligands CRH, CRHR1, CRHR2 PNMT 1817/4885PRCP 499/4885TRPM5 838/4885
US-20100093685-A1 NITRIC OXIDE RELEASING STEROIDS NR3C1, CYP11B1, NOS1 PNMT 2460/4885PRCP 3216/4885TRPM5 4173/4885
US-20100234334-A1 NITRIC OXIDE RELEASING STEROIDS NOS1, NR3C1, NOS2 PNMT 1237/4885PRCP 3618/4885TRPM5 4001/4885

“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.