SCHEMBL4507191

SCHEMBL4507191

Cc1cccc(SN2CC[C@H](O)C2)c1C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.37
CYP3A4 P08684 2/20 0.37
HTR1A P08908 2/20 0.37
CYP2D6 P10635 2/20 0.37
CYP2C9 P11712 2/20 0.37
HTR3A P46098 2/20 0.37
CD274 Q9NZQ7 2/20 0.34
PDCD1LG2 Q9BQ51 1/20 0.34
ATM Q13315 2/20 0.33
ALDH1A1 P00352 2/20 0.32
KDM4E B2RXH2 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MEN1 O00255 1/20 0.32
MAPT P10636 1/20 0.32
TSHR P16473 1/20 0.32
KMT2A Q03164 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
GAA P10253 1/20 0.32
HPGD P15428 1/20 0.32
TRPA1 O75762 1/20 0.32

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
SCHEMBL4521731 0.88 HTR1A (0.35) HTR1AHTR3AATMALDH1A1
SCHEMBL20662478 0.85 CD274 (0.33) CD274PDCD1LG2PDCD1
SCHEMBL4507192 0.76 HTR1A (0.37) CYP1A2CYP3A4HTR1ACYP2D6CYP2C9
SCHEMBL20627170 0.75 LDHA (0.33) ALDH1A1KDM4E
SCHEMBL4521726 0.71 SMN1; SMN2 (0.39) ALDH1A1SMN1; SMN2MEN1KMT2AHPGD
SCHEMBL8194084 0.70 ALDH1A1 (0.40) CYP1A2CYP2D6CYP2C9ALDH1A1KDM4E
SCHEMBL4531563 0.70 ALDH1A1 (0.40) CYP1A2CYP2D6CYP2C9ALDH1A1KDM4E
SCHEMBL24512337 0.67 NPY5R (0.35) CD274PDCD1
SCHEMBL20662465 0.67 DDB1 (0.39) ALDH1A1HPGD
SCHEMBL20662496 0.65 CCR5 (0.38) ALDH1A1KDM4EMEN1TSHRKMT2A

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 CYP1A2 2087/4885CYP3A4 1593/4885HTR1A 1244/4885
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 CYP1A2 1365/4885CYP3A4 3608/4885HTR1A 220/4885
US-20080269505-A1 Processes for preparing darifenacin hydrobromide OPRL1, AVPR2, AVPR1B CYP1A2 2087/4885CYP3A4 1593/4885HTR1A 1244/4885
US-20090156831-A1 PROCESSES FOR PREPARING DARIFENACIN HYDROBROMIDE OPRL1, AVPR2, AVPR1B CYP1A2 2087/4885CYP3A4 1593/4885HTR1A 1244/4885

“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.