SCHEMBL13818481

SCHEMBL13818481

C[C@H]1CCN(Sc2ccccc2)C1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.41
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
SIGMAR1 Q99720 2/20 0.38
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
PKM P14618 1/20 0.37
TSHR P16473 1/20 0.37
GAA P10253 2/20 0.36
USP2 O75604 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 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
SCHEMBL26254400 1.00 ACHE (0.41) ACHENPC1RAB9ASIGMAR1KDM4E
SCHEMBL13818482 0.84 RAB9A (0.42) NPC1RAB9AKDM4EMEN1KMT2A
SCHEMBL11806484 0.81 ALDH1A1 (0.44) KDM4EMEN1KMT2AGAA
SCHEMBL18583327 0.80 USP2 (0.37) KDM4EUSP2
SCHEMBL21613744 0.80 KDM4E (0.45) ACHENPC1RAB9AKDM4EMEN1
SCHEMBL4531563 0.78 ALDH1A1 (0.40) NPC1RAB9ASIGMAR1KDM4EKMT2A
SCHEMBL8194084 0.78 ALDH1A1 (0.40) NPC1RAB9ASIGMAR1KDM4EKMT2A
SCHEMBL21117789 0.73 NPC1 (0.44) NPC1RAB9ASIGMAR1TSHRGAA
SCHEMBL13004905 0.73 GRIN2B (0.39) KDM4EGAA
SCHEMBL26242517 0.72 NPC1 (0.48) ACHENPC1RAB9AKDM4EMEN1

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 ACHE 49/4885NPC1 4762/4885RAB9A 3273/4885
US-20090156831-A1 PROCESSES FOR PREPARING DARIFENACIN HYDROBROMIDE OPRL1, AVPR2, AVPR1B ACHE 1170/4885NPC1 4114/4885RAB9A 956/4885

“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.