SCHEMBL905839

SCHEMBL905839

Cc1cccc2cc3n(c12)C(C)CNC3

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 8/20 0.38
HTR2A P28223 4/20 0.38
HTR2B P41595 2/20 0.37
KIF11 P52732 1/20 0.32
ROCK2 O75116 3/20 0.31
PRKACA P17612 2/20 0.31
ROCK1 Q13464 2/20 0.31
PLK4 O00444 1/20 0.31
AURKA O14965 1/20 0.31
DCLK1 O15075 1/20 0.31
PDPK1 O15530 1/20 0.31
PRKD3 O94806 1/20 0.31
MAP4K4 O95819 1/20 0.31
CHEK2 O96017 1/20 0.31
LCK P06239 1/20 0.31
CDK1 P06493 1/20 0.31
FGFR1 P11362 1/20 0.31
PHKG2 P15735 1/20 0.31
CDK2 P24941 1/20 0.31
MARK3 P27448 1/20 0.31

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
SCHEMBL905838 1.00 HTR2C (0.38) HTR2CHTR2AHTR2BKIF11ROCK2
SCHEMBL4044581 0.84 HTR2C (0.37) HTR2CHTR2AROCK2ROCK1PLK4
SCHEMBL4044164 0.84 HTR2C (0.37) HTR2CHTR2AROCK2ROCK1PLK4
SCHEMBL4046875 0.84 HTR2C (0.37) HTR2CHTR2A
SCHEMBL4042851 0.84 HTR2C (0.37) HTR2CHTR2A
Hydrochloric Acid SCHEMBL4049288 0.83 HTR2C (0.36) HTR2CHTR2AROCK2
Hydrochloric Acid SCHEMBL4049292 0.83 HTR2C (0.36) HTR2CHTR2AROCK2
SCHEMBL4041141 0.82 HTR2A (0.37) HTR2CHTR2AHTR2BKIF11
SCHEMBL4041135 0.82 HTR2A (0.37) HTR2CHTR2AHTR2BKIF11
SCHEMBL905985 0.82 HTR2C (0.36) HTR2CHTR2AHTR2BCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1370561-B1 TETRAHYDRO-PYRAZINO[1,2-A]INDOLES FOR THE TREATMENT OF CENTRAL NERVOUS DISORDERS HOFFMANN LA ROCHE (CH) 2009-02-11 EP claimed
US-6844345-B2 Piperazine derivatives HOFFMAN-LA ROCHE INC. (US) 2005-01-18 US claimed
EP-1370561-A2 TETRAHYDRO-PYRAZINO[1,2-A]INDOLES FOR THE TREATMENT OF CENTRAL NERVOUS DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2003-12-17 EP claimed
US-20020169163-A1 Piperazine derivatives HOFFMAN-LA ROCHE INC. 2002-11-14 US claimed
WO-2002072584-A2 TETRAHYDRO-PYRAZINO (1,2-A) INDOLES FOR THE TREATMENT OF CENTRAL NERVOUS DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2002-09-19 WO claimed
US-20110152272-A1 Treatment Of Incontinence PFIZER INC 2011-06-23 US disclosed
EP-2277513-A2 Treatment of incontinence with 5htc2 agonists Pfizer Inc. (US) 2011-01-26 EP disclosed
EP-1370561-B1 TETRAHYDRO-PYRAZINO[1,2-A]INDOLES FOR THE TREATMENT OF CENTRAL NERVOUS DISORDERS HOFFMANN LA ROCHE (CH) 2009-02-11 EP disclosed
US-20080146583-A1 Treatment of Incontinence PFIZER INC 2008-06-19 US disclosed
EP-1620081-A2 TREATMENT OF INCONTINENCE WITH 5HTC2 AGONISTS Pfizer Limited (GB) 2006-02-01 EP disclosed
US-6844345-B2 Piperazine derivatives HOFFMAN-LA ROCHE INC. (US) 2005-01-18 US disclosed
US-20040235856-A1 Treatment of incontinence PFIZER INC 2004-11-25 US disclosed
WO-2004096196-A2 TREATMENT OF INCONTINENCE WITH 5HTC2 AGONISTS PFIZER LIMITED (GB) 2004-11-11 WO disclosed
EP-1370561-A2 TETRAHYDRO-PYRAZINO[1,2-A]INDOLES FOR THE TREATMENT OF CENTRAL NERVOUS DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2003-12-17 EP disclosed
US-20020169163-A1 Piperazine derivatives HOFFMAN-LA ROCHE INC. 2002-11-14 US disclosed
WO-2002072584-A2 TETRAHYDRO-PYRAZINO (1,2-A) INDOLES FOR THE TREATMENT OF CENTRAL NERVOUS DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2002-09-19 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 (4 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-20040235856-A1 Treatment of incontinence HTR2C, HTR5A, ADRA2C HTR2C 1/4885HTR2A 6/4885HTR2B 10/4885
US-20110152272-A1 Treatment Of Incontinence HTR2C, HTR5A, ADRA2C HTR2C 1/4885HTR2A 6/4885HTR2B 10/4885
US-20080146583-A1 Treatment of Incontinence HTR2C, HTR5A, ADRA2C HTR2C 1/4885HTR2A 6/4885HTR2B 10/4885
US-20020169163-A1 Piperazine derivatives GPR119, SLC5A2, DPP4 HTR2C 158/4885HTR2A 140/4885HTR2B 366/4885

“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.