SCHEMBL2230435

SCHEMBL2230435

COc1ccccc1N1CCN(CC(C(=O)NC(C)(C)C)c2ccccc2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 4/20 1.00
ALDH1A1 P00352 3/20 1.00
KDM4E B2RXH2 1/20 1.00
CYP1A2 P05177 1/20 1.00
CYP3A4 P08684 1/20 1.00
CYP2D6 P10635 1/20 1.00
ALOX15 P16050 1/20 1.00
HSD17B10 Q99714 1/20 1.00
LMNA P02545 1/20 0.59
ADRA1D P25100 3/20 0.58
ADRA1A P35348 3/20 0.58
ADRA1B P35368 3/20 0.58
ADRB2 P07550 2/20 0.58
ADRB1 P08588 2/20 0.58
ADRB3 P13945 2/20 0.58
HTR1D P28221 1/20 0.58
HTR2B P41595 1/20 0.58
RECQL P46063 1/20 0.56
IGF1R P08069 1/20 0.55
DRD2 P14416 2/20 0.54

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
SCHEMBL4087689 1.00 HTR1A (1.00) HTR1AALDH1A1KDM4ECYP1A2CYP3A4
SCHEMBL29389745 1.00 HTR1A (1.00) HTR1AALDH1A1KDM4ECYP1A2CYP3A4
SCHEMBL8445391 0.90 ALDH1A1 (0.82) HTR1AALDH1A1KDM4ECYP1A2CYP3A4
SCHEMBL8442534 0.89 HTR1A (0.80) HTR1AALDH1A1KDM4ECYP1A2CYP3A4
SCHEMBL8445633 0.89 HTR1A (0.79) HTR1AALDH1A1KDM4ECYP1A2CYP3A4
SCHEMBL8442467 0.88 HTR1A (0.78) HTR1AALDH1A1KDM4ECYP1A2CYP3A4
SCHEMBL9280040 0.87 HTR1A (0.77) HTR1AALDH1A1KDM4ECYP1A2CYP3A4
SCHEMBL8444594 0.87 HTR1A (0.77) HTR1AALDH1A1KDM4ECYP1A2CYP3A4
SCHEMBL8445766 0.87 HTR1A (0.77) HTR1AALDH1A1KDM4ECYP1A2CYP3A4
SCHEMBL8444593 0.87 HTR1A (0.77) HTR1AALDH1A1KDM4ECYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11426408-B2 Use of serotonergic drugs to treat virus-induced thrombocytopenia NATIONAL UNIVERSITY OF SINGAPORE (SG) 2022-08-30 US claimed
US-20200352947-A1 USE OF SEROTONERGIC DRUGS TO TREAT VIRUS-INDUCED THROMBOCYTOPENIA NATIONAL UNIVERSITY OF SINGAPORE (SG) 2020-11-12 US claimed
US-20140350064-A1 PHARMACEUTICAL COMPOSITION COMPRISING AN AMPK ACTIVATOR AND A SEROTONERGIC AGENT AND METHODS OF USE THEREOF ALS MOUNTAIN LLC 2014-11-27 US claimed
US-20120183600-A1 NOVEL COMPOSITION FOR TREATING METABOLIC SYNDROME AND OTHER CONDITIONS CHEN CHIEN-HUNG (US) 2012-07-19 US claimed
WO-2009090556-A2 ARTIFICIAL REPRODUCTION OF PHARMACEUTICAL CONDITIONS OF DEPENDENCY TO TOBACCO AND OTHER ADDICTIVE DRUGS (OPIACEA, PSYCHOSTIMULANTS, ALCOHOL) BY COMBINATION OF NICOTINE AND A LIGAND (AGONIST OR 5 ANTAGONIST) OF 5-HT1A RECEPTORS TASSIN, THOMAS (FR) 2009-07-23 WO claimed
US-20050080084-A1 Compositions of a cyclooxygenase-2 selective inhibitor and a serotonin-modulating agent for the treatment of central nervous system damage PHARMACIA CORPORATION 2005-04-14 US claimed
WO-2005018541-A2 COX-2 INHIBITOR AND SEROTONIN MODULATOR FOR TREATING CNS DAMAGE PHARMACIA CORPORATION (US) 2005-03-03 WO claimed
EP-0760665-B1 COMPOSITIONS CONTAINING 5HTIA AND 5HTID ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 2001-12-12 EP claimed
EP-0877612-B1 USE OF PIPERAZINE DERIVATIVES FOR THE TREATMENT OF COGNITIVE DISORDERS WYETH JOHN & BROTHER LTD (GB) 2000-08-16 EP claimed
EP-0395313-B1 Tertiary alkyl functionalized piperazine derivatives AMERICAN HOME PROD (US) 1999-12-15 EP claimed
EP-0877612-A1 USE OF PIPERAZINE DERIVATIVES FOR THE TREATMENT OF COGNITIVE DISORDERS JOHN WYETH & BROTHER LIMITED (GB) 1998-11-18 EP claimed
US-5827847-A Treatment of cognitive disorders with piperazine derivatives JOHN WYETH & BROTHER, LTD. (GB) 1998-10-27 US claimed
WO-1996001656-A1 5-HT1A LIGANDS JOHN WYETH & BROTHER LIMITED (GB) 1996-01-25 WO claimed
EP-0686047-A1 5-HT 1A? LIGANDS JOHN WYETH & BROTHER LIMITED (GB) 1995-12-13 EP claimed
WO-1994019026-A1 5-HT1A LIGANDS JOHN WYETH & BROTHER LIMITED (GB) 1994-09-01 WO claimed
WO-1994009780-A1 USE OF PIPERAZINE DERIVATIVES FOR THE TREATMENT OF COGNITIVE DISORDERS JOHN WYETH & BROTHER LIMITED (GB) 1994-05-11 WO claimed
US-11426408-B2 Use of serotonergic drugs to treat virus-induced thrombocytopenia NATIONAL UNIVERSITY OF SINGAPORE (SG) 2022-08-30 US disclosed
US-20200352947-A1 USE OF SEROTONERGIC DRUGS TO TREAT VIRUS-INDUCED THROMBOCYTOPENIA NATIONAL UNIVERSITY OF SINGAPORE (SG) 2020-11-12 US disclosed
WO-1994019026-A1 5-HT1A LIGANDS JOHN WYETH & BROTHER LIMITED (GB) 1994-09-01 WO disclosed
WO-1994009780-A1 USE OF PIPERAZINE DERIVATIVES FOR THE TREATMENT OF COGNITIVE DISORDERS JOHN WYETH & BROTHER LIMITED (GB) 1994-05-11 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-20050080084-A1 Compositions of a cyclooxygenase-2 selective inhibitor and a serotonin-modulating agent for the treatment of central nervous system damage TPH2, TPH1, HTR2A HTR1A 6/4885ALDH1A1 1946/4885KDM4E 4399/4885

“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.