SCHEMBL4521731

SCHEMBL4521731

Cc1ccccc1SN1CC[C@H](O)C1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.35
HTR3A P46098 2/20 0.35
FFAR1 O14842 1/20 0.34
HSD17B10 Q99714 1/20 0.33
SLC18A3 Q16572 1/20 0.33
KCNA3 P22001 1/20 0.33
ALDH1A1 P00352 1/20 0.33
ATM Q13315 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
GBA1 P04062 1/20 0.32
CFB P00751 1/20 0.32
PIK3CD O00329 1/20 0.31
ACHE P22303 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
SCHEMBL4507191 0.88 CYP1A2 (0.37) HTR1AHTR3AALDH1A1ATM
SCHEMBL4507192 0.81 HTR1A (0.37) HTR1AHTR3ASLC18A3
SCHEMBL20627170 0.81 LDHA (0.33) KCNA3ALDH1A1L3MBTL1
SCHEMBL20662478 0.79 CD274 (0.33)
SCHEMBL4531563 0.76 ALDH1A1 (0.40) HSD17B10SLC18A3KCNA3ALDH1A1L3MBTL1
SCHEMBL8194084 0.76 ALDH1A1 (0.40) HSD17B10SLC18A3KCNA3ALDH1A1L3MBTL1
SCHEMBL24512337 0.74 NPY5R (0.35) L3MBTL1
SCHEMBL4521726 0.73 SMN1; SMN2 (0.39) SLC18A3ALDH1A1L3MBTL1
SCHEMBL18465450 0.73 HTR1A (0.41) HTR1AHTR3AFFAR1ACHE
SCHEMBL18465451 0.72 HTR1A (0.40) HTR1AHTR3AALDH1A1L3MBTL1ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090156831-A1 PROCESSES FOR PREPARING DARIFENACIN HYDROBROMIDE MERLI VALERIANO 2009-06-18 US disclosed
US-20080269505-A1 Processes for preparing darifenacin hydrobromide TEVA PHARMACEUTICALS USA, INC. FOR BARBADOS 2008-10-30 US disclosed
US-20080214835-A1 Processes for preparing darifenacin hydrobromide TEVA PHARMACEUTICALS USA, INC. FOR BARBADOS 2008-09-04 US disclosed
EP-1877393-A2 PROCESSES FOR PREPARING DARIFENACIN HYDROBROMIDE Teva Pharmaceutical Fine Chemicals S.R.L. (IT) 2008-01-16 EP disclosed
US-20070203221-A1 (S)-2-{1-[2-(2,3-dihydrobenzofuran-5-yl)ethyl]-3-pyrrolidinyl}-2,2-diphenylacetamide, selective muscarinic acetylcholine receptor antagonists, used for treating urogenital disorders such as incontinence TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2007-08-30 US disclosed
WO-2007076158-A2 PROCESSES FOR PREPARING DARIFENACIN HYDROBROMIDE TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2007-07-05 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-20080214835-A1 Processes for preparing darifenacin hydrobromide OPRL1, AVPR2, AVPR1B HTR1A 1244/4885HTR3A 724/4885FFAR1 3995/4885
US-20070203221-A1 (S)-2-{1-[2-(2,3-dihydrobenzofuran-5-yl)ethyl]-3-pyrrolidinyl}-2,2-diphenylacetamide, selective muscarinic acetylcholine receptor antagonists, used for treating urogenital disorders such as incontinence CHRNE, CHRM3, CHRM2 HTR1A 220/4885HTR3A 143/4885FFAR1 580/4885
US-20080269505-A1 Processes for preparing darifenacin hydrobromide OPRL1, AVPR2, AVPR1B HTR1A 1244/4885HTR3A 724/4885FFAR1 3995/4885
US-20090156831-A1 PROCESSES FOR PREPARING DARIFENACIN HYDROBROMIDE OPRL1, AVPR2, AVPR1B HTR1A 1244/4885HTR3A 724/4885FFAR1 3995/4885

“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.