SCHEMBL13818482

SCHEMBL13818482

Cc1ccc(SN2CC[C@H](C)C2)cc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.42
NPC1 O15118 4/20 0.42
HPGD P15428 4/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
ALDH1A1 P00352 3/20 0.42
LMNA P02545 2/20 0.42
SLC18A3 Q16572 1/20 0.34
HTT P42858 2/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
MAPK1 P28482 2/20 0.33
MAPT P10636 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
KDM4E B2RXH2 1/20 0.33
HSD17B10 Q99714 1/20 0.33
EBP Q15125 1/20 0.33
DHCR7 Q9UBM7 1/20 0.33
TP53 P04637 1/20 0.33
FKBP1A P62942 1/20 0.33

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
SCHEMBL26242517 0.89 NPC1 (0.48) RAB9ANPC1HPGDSMN1; SMN2ALDH1A1
SCHEMBL26254400 0.84 ACHE (0.41) RAB9ANPC1MEN1KMT2AKDM4E
SCHEMBL13818481 0.84 ACHE (0.41) RAB9ANPC1MEN1KMT2AKDM4E
SCHEMBL4521726 0.81 SMN1; SMN2 (0.39) RAB9ANPC1HPGDSMN1; SMN2ALDH1A1
SCHEMBL21613806 0.80 DHCR7 (0.50) RAB9ANPC1HPGDSMN1; SMN2ALDH1A1
SCHEMBL21613729 0.77 DHCR7 (0.56) RAB9ANPC1HPGDSMN1; SMN2ALDH1A1
SCHEMBL22572824 0.76 USP2 (0.46) HPGDSMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL25650180 0.73 HRH3 (0.32) RAB9ANPC1HPGDSMN1; SMN2ALDH1A1
SCHEMBL18583232 0.72 HPGD (0.43) RAB9ANPC1HPGDSMN1; SMN2ALDH1A1
SCHEMBL18583327 0.72 USP2 (0.37) ALDH1A1LMNAHTTKDM4E

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 2 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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-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 RAB9A 3273/4885NPC1 4762/4885HPGD 362/4885
US-20090156831-A1 PROCESSES FOR PREPARING DARIFENACIN HYDROBROMIDE OPRL1, AVPR2, AVPR1B RAB9A 956/4885NPC1 4114/4885HPGD 890/4885

“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.