SCHEMBL13601291

SCHEMBL13601291

CC(=O)C(c1ccccc1)(c1ccccc1)C1CCNC1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.50
LMNA P02545 1/20 0.50
CYP2D6 P10635 1/20 0.50
HRH1 P35367 1/20 0.50
SCN1A P35498 1/20 0.50
KMT2A Q03164 1/20 0.50
SCN2A Q99250 1/20 0.50
SCN3A Q9NY46 1/20 0.50
SSTR4 P31391 2/20 0.40
SSTR1 P30872 1/20 0.40
SLC6A2 P23975 4/20 0.39
SLC6A4 P31645 4/20 0.39
SLC6A3 Q01959 2/20 0.39
KEAP1 Q14145 1/20 0.38
NFE2L2 Q16236 1/20 0.38
JAK3 P52333 1/20 0.38
MAPT P10636 1/20 0.37
PKM P14618 1/20 0.37

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
SCHEMBL4396455 0.84 KMT2A (0.50) MEN1LMNACYP2D6HRH1SCN1A
SCHEMBL953947 0.84 KMT2A (0.50) MEN1LMNACYP2D6HRH1SCN1A
SCHEMBL958241 0.84 KMT2A (0.50) MEN1LMNACYP2D6HRH1SCN1A
SCHEMBL963408 0.84 MEN1 (0.46) MEN1LMNACYP2D6HRH1SCN1A
SCHEMBL14044375 0.84 CYP2D6 (0.46) MEN1LMNACYP2D6HRH1SCN1A
Bromide SCHEMBL4505514 0.83 KMT2A (0.49) MEN1LMNACYP2D6HRH1SCN1A
Hydrochloric Acid SCHEMBL10869034 0.83 KMT2A (0.49) MEN1LMNACYP2D6HRH1SCN1A
Bromide SCHEMBL4505510 0.83 KMT2A (0.49) MEN1LMNACYP2D6HRH1SCN1A
SCHEMBL5657376 0.80 MEN1 (0.43) MEN1LMNACYP2D6HRH1SCN1A
Maleic Acid SCHEMBL10360499 0.79 HRH1 (0.44) MEN1LMNACYP2D6HRH1SCN1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7638639-B2 Substituted pyrrolidine and related compounds THERAVANCE, INC. (US) 2009-12-29 US disclosed
US-7615566-B2 Substituted pyrrolidine and related compounds THERAVANCE, INC. (US) 2009-11-10 US disclosed
US-7557126-B2 Diphenylmethyl compounds useful as muscarinic receptor antagonists THERAVANCE, INC. (US) 2009-07-07 US disclosed
US-20080161577-A1 Substituted pyrrolidine and related compounds THERAVANCE BIOPHARMA R&D IP, LLC 2008-07-03 US disclosed
US-20080146649-A1 Substituted pyrrolidine and related compounds THERAVANCE BIOPHARMA R&D IP, LLC 2008-06-19 US disclosed
US-7351718-B2 Substituted pyrrolidine and related compounds THERAVANCE, INC. (US) 2008-04-01 US disclosed
US-7351717-B2 Substituted pyrrolidine and related compounds THERAVANCE, INC. (US) 2008-04-01 US disclosed
US-20070254943-A1 Diphenylmethyl compounds useful as muscarinic receptor antagonists THERAVANCE BIOPHARMA R&D IP, LLC 2007-11-01 US disclosed
US-7250414-B2 Diphenylmethyl compounds useful as muscarinic receptor antagonists THERAVANCE, INC. (US) 2007-07-31 US disclosed
US-20070135482-A1 Substituted pyrrolidine and related compounds THERAVANCE BIOPHARMA R&D IP, LLC 2007-06-14 US disclosed
US-7208515-B2 Diphenylmethyl compounds useful as muscarinic receptor antagonists THERAVANCE, INC. (US) 2007-04-24 US disclosed
US-20070078163-A1 Substituted pyrrolidine and related compounds THERAVANCE BIOPHARMA R&D IP, LLC 2007-04-05 US disclosed
US-7183292-B2 Substituted pyrrolidine and related compounds THERAVANCE, INC. (US) 2007-02-27 US disclosed
US-20070032524-A1 Diphenylmethyl compounds useful as muscarinic receptor antagonists THERAVANCE, INC. 2007-02-08 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 (6 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-20070135482-A1 Substituted pyrrolidine and related compounds CHRM1, CHRM5, CHRM2 MEN1 1247/4885LMNA 3786/4885CYP2D6 483/4885
US-20070032524-A1 Diphenylmethyl compounds useful as muscarinic receptor antagonists CHRM2, CHRM1, CHRM5 MEN1 1591/4885LMNA 2237/4885CYP2D6 519/4885
US-20080161577-A1 Substituted pyrrolidine and related compounds CHRM1, CHRM5, CHRM2 MEN1 1247/4885LMNA 3786/4885CYP2D6 483/4885
US-20070254943-A1 Diphenylmethyl compounds useful as muscarinic receptor antagonists CHRM1, CHRM2, CHRM3 MEN1 1011/4885LMNA 1646/4885CYP2D6 456/4885
US-20080146649-A1 Substituted pyrrolidine and related compounds CHRM1, CHRM5, CHRM2 MEN1 1247/4885LMNA 3786/4885CYP2D6 483/4885
US-20070078163-A1 Substituted pyrrolidine and related compounds CHRM1, CHRM5, CHRM2 MEN1 1247/4885LMNA 3786/4885CYP2D6 483/4885

“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.