SCHEMBL580488

SCHEMBL580488

CCCc1ccc(O)c([C@@H](CCNC(C)C)c2ccccc2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.48
MEN1 O00255 4/20 0.48
CHRM3 P20309 5/20 0.43
ADRB2 P07550 5/20 0.43
SLC6A4 P31645 3/20 0.43
ADRA1A P35348 3/20 0.43
KCNH2 Q12809 3/20 0.43
LMNA P02545 3/20 0.43
CHRM2 P08172 2/20 0.43
CHRM1 P11229 2/20 0.43
HTR2A P28223 2/20 0.43
HRH1 P35367 2/20 0.43
OPRK1 P41145 2/20 0.43
CACNA1C Q13936 2/20 0.43
SCN5A Q14524 2/20 0.43
ESR1 P03372 1/20 0.43
CHRM4 P08173 1/20 0.43
CHRM5 P08912 1/20 0.43
MAPT P10636 1/20 0.43
KCNE1 P15382 1/20 0.43

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
SCHEMBL5199395 1.00 KMT2A (0.48) KMT2AMEN1CHRM3ADRB2SLC6A4
SCHEMBL580454 1.00 KMT2A (0.48) KMT2AMEN1CHRM3ADRB2SLC6A4
Hydrochloric Acid SCHEMBL580185 0.99 KMT2A (0.47) KMT2AMEN1CHRM3ADRB2SLC6A4
SCHEMBL580442 0.93 MEN1 (0.46) KMT2AMEN1CHRM3ADRB2SLC6A4
SCHEMBL579986 0.93 MEN1 (0.46) KMT2AMEN1CHRM3ADRB2SLC6A4
SCHEMBL580226 0.93 MEN1 (0.46) KMT2AMEN1CHRM3ADRB2SLC6A4
Hydrochloric Acid SCHEMBL580324 0.92 MEN1 (0.45) KMT2AMEN1CHRM3ADRB2SLC6A4
SCHEMBL578061 0.90 MEN1 (0.47) KMT2AMEN1CHRM3ADRB2SLC6A4
SCHEMBL579949 0.90 MEN1 (0.47) KMT2AMEN1CHRM3ADRB2SLC6A4
SCHEMBL579948 0.90 MEN1 (0.47) KMT2AMEN1CHRM3ADRB2SLC6A4

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
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-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 (1 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 KMT2A 1676/4885MEN1 2669/4885CHRM3 38/4885

“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.