SCHEMBL580169

SCHEMBL580169

CC(C)NCCC(c1ccccc1)c1cc(CO)ccc1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
CHRM3 P20309 5/20 0.45
CHRM2 P08172 4/20 0.45
CHRM1 P11229 4/20 0.45
SLC6A4 P31645 3/20 0.45
ADRA1A P35348 3/20 0.45
KCNH2 Q12809 3/20 0.45
LMNA P02545 3/20 0.45
HRH1 P35367 3/20 0.45
HTR2A P28223 2/20 0.45
OPRK1 P41145 2/20 0.45
CACNA1C Q13936 2/20 0.45
SCN5A Q14524 2/20 0.45
CHRM5 P08912 2/20 0.45
MAPT P10636 2/20 0.45
ESR1 P03372 1/20 0.45
CHRM4 P08173 1/20 0.45
KCNE1 P15382 1/20 0.45
PTGS1 P23219 1/20 0.45

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
SCHEMBL580170 1.00 MEN1 (0.47) MEN1KMT2ACHRM3CHRM2CHRM1
SCHEMBL580184 1.00 MEN1 (0.47) MEN1KMT2ACHRM3CHRM2CHRM1
SCHEMBL11302530 0.91 LMNA (0.57) MEN1KMT2ACHRM3CHRM2CHRM1
SCHEMBL11302537 0.91 LMNA (0.57) MEN1KMT2ACHRM3CHRM2CHRM1
SCHEMBL579948 0.90 MEN1 (0.47) MEN1KMT2ACHRM3CHRM2CHRM1
SCHEMBL578061 0.90 MEN1 (0.47) MEN1KMT2ACHRM3CHRM2CHRM1
SCHEMBL579949 0.90 MEN1 (0.47) MEN1KMT2ACHRM3CHRM2CHRM1
Hydrochloric Acid SCHEMBL580315 0.88 MEN1 (0.46) MEN1KMT2ACHRM3CHRM2CHRM1
Hydrochloric Acid SCHEMBL579658 0.88 MEN1 (0.46) MEN1KMT2ACHRM3CHRM2CHRM1
Hydrochloric Acid SCHEMBL579657 0.88 MEN1 (0.46) MEN1KMT2ACHRM3CHRM2CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1434574-A2 TOLTERODINE METABOLITES Bridge Pharma, Inc. (US) 2004-07-07 EP claimed
US-20030027856-A1 Tolterodine metabolites BRIDGE PHARMA, INC. 2003-02-06 US claimed
WO-2003002059-A2 TOLTERODINE METABOLITES BRIDGE PHARMA, INC. (US) 2003-01-09 WO claimed
EP-1633695-B1 SMOOTH MUSCLE SPASMOLYTIC AGENTS BRIDGE PHARMA INC (US) 2012-02-15 EP disclosed
EP-1633695-A4 SMOOTH MUSCLE SPASMOLYTIC AGENTS BRIDGE PHARMA INC (US) 2007-12-12 EP disclosed
US-7230030-B2 Derivatives of 3,3-diphenylpropylamines SCHWARZ PHARMA AG (DE) 2007-06-12 US disclosed
US-7141696-B2 Smooth muscle spasmolytic agents BRIDGE PHARMA, INC. (US) 2006-11-28 US disclosed
EP-1633695-A2 SMOOTH MUSCLE SPASMOLYTIC AGENTS Bridge Pharma, Inc. (US) 2006-03-15 EP disclosed
WO-2004105692-A2 SMOOTH MUSCLE SPASMOLYTIC AGENTS BRIDGE PHARMA, INC. (US) 2004-12-09 WO disclosed
US-20040248987-A1 Smooth muscle spasmolytic agents BRIDGE PHARMA, INC. 2004-12-09 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-20040248987-A1 Smooth muscle spasmolytic agents MYLK, TNNC1, MYLK2 MEN1 2669/4885KMT2A 1676/4885CHRM3 38/4885
US-20030027856-A1 Tolterodine metabolites COMT, ADRB3, THOP1 MEN1 4510/4885KMT2A 3315/4885CHRM3 62/4885

“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.