SCHEMBL906084

SCHEMBL906084

COc1ccc2[nH]nc(CC(C)N)c2c1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.57
HTR2C P28335 2/20 0.57
HTR2B P41595 2/20 0.57
HTR1A P08908 1/20 0.57
TAAR1 Q96RJ0 2/20 0.45
SLC6A4 P31645 1/20 0.45
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44
TSHR P16473 1/20 0.44
GFER P55789 1/20 0.44
KMT2A Q03164 1/20 0.44
HSD17B10 Q99714 1/20 0.44
TTK P33981 1/20 0.43

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
Fumaric Acid SCHEMBL8146164 0.89 HTR1A (0.47) HTR2AHTR2CHTR2BHTR1AKDM4E
Fumaric Acid SCHEMBL8146172 0.89 HTR1A (0.47) HTR2AHTR2CHTR2BHTR1AKDM4E
SCHEMBL17253616 0.88 KDM4E (0.46) HTR2AHTR2CHTR2BHTR1AKDM4E
SCHEMBL6221858 0.86 PRKAG1 (0.45) HTR2AHTR2CHTR2BHTR1AKDM4E
SCHEMBL6221861 0.86 PRKAG1 (0.45) HTR2AHTR2CHTR2BHTR1AKDM4E
SCHEMBL19068712 0.84 HTR2A (0.43) HTR2AHTR2CHTR2BHTR1AKDM4E
SCHEMBL17221269 0.82 HTR2B (0.53) HTR2AHTR2CHTR2BHTR1AKDM4E
SCHEMBL5990709 0.82 HTR1B (0.46) HTR2AHTR2CHTR2BHTR1ATTK
SCHEMBL17232485 0.80 KDM4E (0.50) HTR2AHTR2CHTR2BHTR1AKDM4E
SCHEMBL14734878 0.80 KDM4E (0.50) HTR2AHTR2CHTR2BKDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7005443-B1 5-Hydroxy indazole derivatives for treating glaucoma ALCON, INC. (CH) 2006-02-28 US claimed
EP-1268439-A1 5-HYDROXY INDAZOLE DERIVATIVES FOR TREATING GLAUCOMA Alcon Inc. (CH) 2003-01-02 EP claimed
WO-2001070701-A1 5-HYDROXY INDAZOLE DERIVATIVES FOR TREATING GLAUCOMA ALCON, INC. (CH) 2001-09-27 WO claimed
WO-2000012482-A2 INDAZOLE DERIVATIVES WITH 5-HT2 RECEPTOR ACTIVITY VERNALIS RESEARCH LIMITED (GB) 2000-03-09 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
US-20080146583-A1 Treatment of Incontinence PFIZER INC 2008-06-19 US disclosed
US-20060052431-A1 5-Hydroxy indazole derivatives for treating glaucoma MAY JESSE A 2006-03-09 US disclosed
US-7005443-B1 5-Hydroxy indazole derivatives for treating glaucoma ALCON, INC. (CH) 2006-02-28 US disclosed
EP-1620081-A2 TREATMENT OF INCONTINENCE WITH 5HTC2 AGONISTS Pfizer Limited (GB) 2006-02-01 EP 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-1268439-A1 5-HYDROXY INDAZOLE DERIVATIVES FOR TREATING GLAUCOMA Alcon Inc. (CH) 2003-01-02 EP disclosed
WO-2001070701-A1 5-HYDROXY INDAZOLE DERIVATIVES FOR TREATING GLAUCOMA ALCON, INC. (CH) 2001-09-27 WO disclosed
WO-2000012482-A2 INDAZOLE DERIVATIVES WITH 5-HT2 RECEPTOR ACTIVITY VERNALIS RESEARCH LIMITED (GB) 2000-03-09 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-20060052431-A1 5-Hydroxy indazole derivatives for treating glaucoma PTGIS, PTGIR, PDE3A HTR2A 1456/4885HTR2C 929/4885HTR2B 1428/4885
US-20040235856-A1 Treatment of incontinence HTR2C, HTR5A, ADRA2C HTR2A 6/4885HTR2C 1/4885HTR2B 10/4885
US-20110152272-A1 Treatment Of Incontinence HTR2C, HTR5A, ADRA2C HTR2A 6/4885HTR2C 1/4885HTR2B 10/4885
US-20080146583-A1 Treatment of Incontinence HTR2C, HTR5A, ADRA2C HTR2A 6/4885HTR2C 1/4885HTR2B 10/4885

“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.