SCHEMBL2485271

SCHEMBL2485271

CC(C)(C)OC(=O)N1CCC(n2c3ccccc3c3ccc(C(=O)N=C(N)N)cc32)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 4/20 0.43
CHRM2 P08172 1/20 0.43
CHRM4 P08173 1/20 0.43
CHRM1 P11229 1/20 0.43
CHRM3 P20309 1/20 0.43
PRKCG P05129 1/20 0.43
PRKCB P05771 1/20 0.43
PRKCA P17252 1/20 0.43
PRKCH P24723 1/20 0.43
PRKCE Q02156 1/20 0.43
PRKCD Q05655 1/20 0.43
CNR2 P34972 1/20 0.42
SLC9A1 P19634 4/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
CYP3A4 P08684 1/20 0.41
KCNH2 Q12809 1/20 0.41
KDM4E B2RXH2 1/20 0.40
PKM P14618 1/20 0.40
OPRM1 P35372 1/20 0.40

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
SCHEMBL13011652 0.89 SLC9A1 (0.40) SLC9A1CYP2C9CYP2C19CYP3A4KCNH2
SCHEMBL13011100 0.86 GPR119 (0.48) GPR119CHRM2CHRM4CHRM1CHRM3
SCHEMBL13011644 0.86 SLC9A1 (0.51) SLC9A1CYP2C9CYP2C19CYP3A4KCNH2
SCHEMBL13011909 0.86 NPC1 (0.42) GPR119CHRM2CHRM4CHRM1CHRM3
SCHEMBL13011502 0.84 CHRM2 (0.46) GPR119CHRM2CHRM4CHRM1CHRM3
SCHEMBL13011643 0.84 HTR2B (0.44) SLC9A1CYP2C9CYP2C19KDM4EADRA1D
SCHEMBL20685539 0.84 CHRM2 (0.57) GPR119CHRM2CHRM4CHRM1CHRM3
SCHEMBL3771574 0.81 HTR2B (0.47) SLC9A1CYP2C9CYP2C19CYP3A4ADRA1D
SCHEMBL3771605 0.81 HTR2B (0.47) SLC9A1CYP2C9CYP2C19CYP3A4ADRA1D
SCHEMBL13011654 0.81 HTR2B (0.46) SLC9A1CYP2C9CYP2C19CYP3A4ADRA1D

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
US-8076348-B2 Acylguanidine derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2011-12-13 US disclosed
EP-1923387-B1 ACYLGUANIDINE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC (JP) 2011-10-19 EP disclosed
US-20100324017-A1 ACYLGUANIDINE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2010-12-23 US disclosed
US-20100168096-A1 ACYLGUANIDINE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2010-07-01 US disclosed
EP-2119704-A1 ACYLGUANIDINE DERIVATIVE Astellas Pharma Inc. (JP) 2009-11-18 EP disclosed
EP-1923387-A1 ACYLGUANIDINE DERIVATIVE OR SALT THEREOF Astellas Pharma Inc. (JP) 2008-05-21 EP 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-20100324017-A1 ACYLGUANIDINE DERIVATIVE HTR5A, GRM5, HTR1E GPR119 89/4885CHRM2 445/4885CHRM4 353/4885
US-20100168096-A1 ACYLGUANIDINE DERIVATIVE OR SALT THEREOF HTR2B, HTR7, HTR3B GPR119 32/4885CHRM2 1771/4885CHRM4 2371/4885

“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.