SCHEMBL1799706

SCHEMBL1799706

CCSc1ncccc1C(=O)N1CCC2(CC1)NC(Cc1ccccc1)C(=O)N2Cc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.41
CHRM2 P08172 2/20 0.39
FNTA P49354 1/20 0.39
FNTB P49356 1/20 0.39
CHRM3 P20309 1/20 0.39
KCNH2 Q12809 1/20 0.38
CYP2C9 P11712 4/20 0.38
CYP2C19 P33261 3/20 0.38
CYP46A1 Q9Y6A2 2/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C8 P10632 1/20 0.38
POLB P06746 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
ALDH1A1 P00352 2/20 0.36
CXCR3 P49682 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL1801675 0.90 KMT2A (0.42) KMT2ACHRM2FNTAFNTBCHRM3
SCHEMBL1803112 0.81 KMT2A (0.53) KMT2ACYP2C9CYP2C19CYP46A1CYP3A4
SCHEMBL1800228 0.78 CYP2C9 (0.46) CHRM2CHRM3CYP2C9CYP2C19SMN1; SMN2
SCHEMBL1797763 0.78 CYP2D6 (0.51) KMT2ACYP2C19CYP3A4ALDH1A1CXCR3
SCHEMBL3926088 0.78 CXCR3 (0.41) CHRM2CHRM3POLBCXCR3L3MBTL1
Hydrochloric Acid SCHEMBL1802301 0.77 CYP2C9 (0.45) CYP2C9CYP2C19SMN1; SMN2HTTTDP1
Hydrochloric Acid SCHEMBL1800654 0.77 CYP2D6 (0.50) KMT2ACYP2C19CYP3A4ALDH1A1CXCR3
SCHEMBL1801039 0.76 CXCR3 (0.44) KMT2APOLBSMN1; SMN2ALDH1A1CXCR3
SCHEMBL1801302 0.76 RIPK1 (0.47) KMT2ACHRM2CHRM3KCNH2CYP2C19
SCHEMBL2934997 0.76 CXCR3 (0.41) SMN1; SMN2ALDH1A1CXCR3L3MBTL1

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-7951815-B2 Substituted 1,4,8-triazaspiro [4,5]decan-2-one compounds GRUENENTHAL GMBH (DE) 2011-05-31 US claimed
EP-1730147-B1 SUBSTITUTED 1,4,8-TRIAZASPIRO[4,5]DECAN-2-ON COMPOUNDS FOR USE IN THE TREATMENT OF OBESITY GRUENENTHAL GMBH (DE) 2010-02-03 EP claimed
US-20070015784-A1 Subsitituted 1,4,8- triazaspiro [4,5]decan-2-one compounds GRUENENTHAL GMBH (DE) 2007-01-18 US claimed
US-7951815-B2 Substituted 1,4,8-triazaspiro [4,5]decan-2-one compounds GRUENENTHAL GMBH (DE) 2011-05-31 US disclosed
EP-1730147-B1 SUBSTITUTED 1,4,8-TRIAZASPIRO[4,5]DECAN-2-ON COMPOUNDS FOR USE IN THE TREATMENT OF OBESITY GRUENENTHAL GMBH (DE) 2010-02-03 EP disclosed
US-20070015784-A1 Subsitituted 1,4,8- triazaspiro [4,5]decan-2-one compounds GRUENENTHAL GMBH (DE) 2007-01-18 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-20070015784-A1 Subsitituted 1,4,8- triazaspiro [4,5]decan-2-one compounds SI, SSTR4, SLC10A2 KMT2A 4267/4885CHRM2 3853/4885FNTA 3737/4885

“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.