SCHEMBL905981

SCHEMBL905981

C[CH][C@@H](N)n1c2c(c3c(Cl)cccc31)CCC2

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 4/20 0.35
GRIN2A Q12879 4/20 0.35
ACHE P22303 2/20 0.32
BCHE P06276 2/20 0.32
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
POLB P06746 1/20 0.30
HTR6 P50406 1/20 0.30

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
SCHEMBL905719 0.78 CA1 (0.46) BCHECA1CA2HTR6
SCHEMBL906064 0.78 CA1 (0.46) BCHECA1CA2HTR6
SCHEMBL905980 0.74 BACE1 (0.41) GRIN1GRIN2AACHEBCHECA1
SCHEMBL906133 0.68 PTGDR2 (0.41) GRIN1GRIN2AACHEBCHEHTR6
Ammonia Solution, Strong SCHEMBL905982 0.68 RAB9A (0.45) CA1CA2HTR6
SCHEMBL6642925 0.68 POLB (0.40) POLB
SCHEMBL7481438 0.67 KDM4E (0.44) GRIN1GRIN2AACHEBCHEHTR6
SCHEMBL6628062 0.63 HTR6 (0.32) HTR6
SCHEMBL6642922 0.60 HTR2C (0.49) POLBHTR6
SCHEMBL6640120 0.56 POLB (0.47) POLB

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
EP-1202965-B1 INDOLE DERIVATIVES, PROCESSES FOR THEIR PREPARATION, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR MEDICINAL APPLICATION VERNALIS RES LTD (GB) 2004-10-13 EP claimed
US-6706750-B1 USEFUL IN TREATING OBESITY AND OTHER DISORDERS VERNALIS RESEARCH LIMITED (GB) 2004-03-16 US 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
EP-1202965-B1 INDOLE DERIVATIVES, PROCESSES FOR THEIR PREPARATION, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR MEDICINAL APPLICATION VERNALIS RES LTD (GB) 2004-10-13 EP disclosed
US-6706750-B1 USEFUL IN TREATING OBESITY AND OTHER DISORDERS VERNALIS RESEARCH LIMITED (GB) 2004-03-16 US disclosed
EP-1202965-A1 INDOLE DERIVATIVES, PROCESSES FOR THEIR PREPARATION, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR MEDICINAL APPLICATION VERNALIS RESEARCH LIMITED (GB) 2002-05-08 EP disclosed
WO-2001012603-A1 INDOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR MEDICINAL APPLICATION VERNALIS RESEARCH LIMITED (GB) 2001-02-22 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 GRIN1 2909/4885GRIN2A 1532/4885ACHE 529/4885
US-20110152272-A1 Treatment Of Incontinence HTR2C, HTR5A, ADRA2C GRIN1 2909/4885GRIN2A 1532/4885ACHE 529/4885
US-20080146583-A1 Treatment of Incontinence HTR2C, HTR5A, ADRA2C GRIN1 2909/4885GRIN2A 1532/4885ACHE 529/4885

“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.