SCHEMBL1803464

SCHEMBL1803464

O=C(c1ccc(Br)cc1)N1CCC2(CC1)NC(Cc1ccccc1)C(=O)N2Cc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.48
RIPK1 Q13546 1/20 0.47
CHRM2 P08172 1/20 0.45
CHRM3 P20309 1/20 0.45
NEK2 P51955 1/20 0.42
CYP2D6 P10635 4/20 0.42
CYP3A4 P08684 3/20 0.42
TSHR P16473 2/20 0.42
CYP2C19 P33261 2/20 0.42
GPR183 P32249 1/20 0.42
GAA P10253 1/20 0.41
MME P08473 1/20 0.41
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
MAPK1 P28482 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
SCHEMBL1801302 0.91 RIPK1 (0.47) KMT2ARIPK1CHRM2CHRM3CYP2D6
SCHEMBL4000263 0.91 RIPK1 (0.47) KMT2ARIPK1CHRM2CHRM3CYP2D6
SCHEMBL2937853 0.91 RIPK1 (0.47) KMT2ARIPK1CHRM2CHRM3CYP2D6
Hydrochloric Acid SCHEMBL1800383 0.90 RIPK1 (0.47) KMT2ARIPK1CHRM2CHRM3CYP2D6
SCHEMBL1799019 0.90 RIPK1 (0.47) KMT2ARIPK1CHRM2CHRM3CYP2D6
Hydrochloric Acid SCHEMBL1799641 0.89 RIPK1 (0.46) KMT2ARIPK1CHRM2CHRM3CYP2D6
SCHEMBL1807471 0.86 NPC1 (0.54) RIPK1TSHR
SCHEMBL2937011 0.86 CXCR3 (0.46) RIPK1CHRM2CHRM3GPR183ALDH1A1
SCHEMBL1800862 0.86 CXCR3 (0.46) RIPK1CHRM2CHRM3GPR183ALDH1A1
SCHEMBL2934126 0.86 CXCR3 (0.46) RIPK1CHRM2CHRM3GPR183ALDH1A1

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 4267/4885RIPK1 3818/4885CHRM2 3853/4885

“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.