SCHEMBL905763

SCHEMBL905763

C[CH]C(N)N1CCc2ccc(SCCC)cc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 4/20 0.48
HTR2C P28335 4/20 0.48
HTR2B P41595 4/20 0.48
MAOA P21397 2/20 0.37
MAOB P27338 2/20 0.37
AR P10275 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
NFKB1 P19838 1/20 0.33
HIF1A Q16665 1/20 0.33
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA7 P43166 1/20 0.32
CA13 Q8N1Q1 1/20 0.32
LMNA P02545 1/20 0.31
PMP22 Q01453 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
GFER P55789 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
SCHEMBL905819 0.90 HTR2A (0.60) HTR2AHTR2CHTR2BMAOACYP1A2
SCHEMBL905760 0.83 HTR2A (0.56) HTR2AHTR2CHTR2BCYP1A2CYP3A4
SCHEMBL905792 0.81 HTR2A (0.44) HTR2AHTR2CHTR2BARCYP1A2
SCHEMBL905762 0.76 HTR2A (0.81) HTR2AHTR2CHTR2BMAOAMAOB
SCHEMBL905863 0.76 ALDH1A1 (0.41) HTR2AHTR2CHTR2BCYP1A2CYP3A4
SCHEMBL905756 0.74 HTR2A (0.54) HTR2AHTR2CHTR2BCYP1A2CYP3A4
SCHEMBL905976 0.74 HTR2A (0.54) HTR2AHTR2CHTR2BCYP1A2CYP3A4
Hydrochloric Acid SCHEMBL7672906 0.73 HTR2A (0.52) HTR2AHTR2CHTR2BCYP1A2CYP3A4
Hydrochloric Acid SCHEMBL7842027 0.73 HTR2A (0.52) HTR2AHTR2CHTR2BCYP1A2CYP3A4
Ammonia Solution, Strong SCHEMBL905765 0.72 HTR2A (0.53) HTR2AHTR2CHTR2BARCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6380238-B1 FOR THERAPY OF DISORDERS OF THE CENTRAL NERVOUS SYSTEM; DAMAGE TO THE CENTRAL NERVOUS SYSTEM; CARDIOVASCULAR DISORDERS; GASTROINTESTINAL DISORDERS; DIABETES INSIPIDUS, AND SLEEP APNEA VERNALIS RESEARCH LIMITED (GB) 2002-04-30 US claimed
EP-1109784-A1 INDOLINE DERIVATIVES AS 5-HT2B AND/OR 5-HT2C RECEPTOR LIGANDS VERNALIS RESEARCH LIMITED (GB) 2001-06-27 EP claimed
WO-2000012475-A1 INDOLINE DERIVATIVES AS 5-HT2B AND/OR 5-HT2C RECEPTOR LIGANDS 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
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
US-6380238-B1 FOR THERAPY OF DISORDERS OF THE CENTRAL NERVOUS SYSTEM; DAMAGE TO THE CENTRAL NERVOUS SYSTEM; CARDIOVASCULAR DISORDERS; GASTROINTESTINAL DISORDERS; DIABETES INSIPIDUS, AND SLEEP APNEA VERNALIS RESEARCH LIMITED (GB) 2002-04-30 US disclosed
EP-1109784-A1 INDOLINE DERIVATIVES AS 5-HT2B AND/OR 5-HT2C RECEPTOR LIGANDS VERNALIS RESEARCH LIMITED (GB) 2001-06-27 EP disclosed
WO-2000012475-A1 INDOLINE DERIVATIVES AS 5-HT2B AND/OR 5-HT2C RECEPTOR LIGANDS 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 (3 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 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.