SCHEMBL906051

SCHEMBL906051

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

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DRD1 P21728 9/20 0.48
DRD5 P21918 9/20 0.48
DRD2 P14416 8/20 0.48
DRD3 P35462 8/20 0.48
DRD4 P21917 5/20 0.43
NOTUM Q6P988 1/20 0.40
HTR2C P28335 1/20 0.39
HTR2B P41595 1/20 0.39
SIGMAR1 Q99720 2/20 0.37
HSD17B10 Q99714 1/20 0.37
KYAT1 Q16773 1/20 0.37
KYAT3 Q6YP21 1/20 0.37
AADAT Q8N5Z0 1/20 0.37
KCNH2 Q12809 1/20 0.37
BIRC2 Q13490 1/20 0.37
TSHR P16473 1/20 0.36

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 SCHEMBL7674597 0.99 DRD1 (0.47) DRD1DRD5DRD2DRD3DRD4
SCHEMBL905863 0.81 ALDH1A1 (0.41) DRD2DRD4NOTUMHTR2CHTR2B
SCHEMBL15893967 0.80 DRD1 (0.54) DRD1DRD5DRD2DRD3DRD4
SCHEMBL905756 0.79 HTR2A (0.54) HTR2CHTR2BBIRC2
SCHEMBL905976 0.79 HTR2A (0.54) DRD1DRD2DRD3DRD4NOTUM
Hydrochloric Acid SCHEMBL7672906 0.78 HTR2A (0.52) DRD1DRD2DRD3DRD4NOTUM
Hydrochloric Acid SCHEMBL7842027 0.78 HTR2A (0.52) DRD1DRD2DRD3DRD4NOTUM
SCHEMBL905760 0.77 HTR2A (0.56) DRD2DRD4HTR2CHTR2B
SCHEMBL905807 0.76 CNR2 (0.43) NOTUMHTR2CHTR2BBIRC2
SCHEMBL19997276 0.75 DRD1 (0.49) DRD1DRD5DRD2DRD3DRD4

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 DRD1 505/4885DRD5 238/4885DRD2 208/4885
US-20110152272-A1 Treatment Of Incontinence HTR2C, HTR5A, ADRA2C DRD1 505/4885DRD5 238/4885DRD2 208/4885
US-20080146583-A1 Treatment of Incontinence HTR2C, HTR5A, ADRA2C DRD1 505/4885DRD5 238/4885DRD2 208/4885

“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.