SCHEMBL18156838

SCHEMBL18156838

c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4cccc5c4-c4ccccc4C54c5ccccc5-c5c4ccc4c5[nH]c5ccccc54)c3)n2)cc1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TDO2 P48775 6/20 0.36
HTR2B P41595 2/20 0.36
HTR5A P47898 2/20 0.36
BCHE P06276 1/20 0.36
PARP14 Q460N5 1/20 0.35
KIF11 P52732 2/20 0.35
IDO1 P14902 2/20 0.34
CDK4 P11802 2/20 0.33
CCND1 P24385 2/20 0.33
PTPN1 P18031 1/20 0.32
PGR P06401 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
MPL P40238 1/20 0.32
MAOA P21397 1/20 0.32

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
SCHEMBL18156839 0.89 TDO2 (0.36) TDO2HTR2BHTR5ABCHEPARP14
SCHEMBL18156837 0.82 CDK4 (0.33) PARP14CDK4CCND1
SCHEMBL22357259 0.82 TDO2 (0.36) TDO2HTR2BHTR5ABCHEPARP14
SCHEMBL21393974 0.81 MEN1 (0.37) MEN1KMT2A
SCHEMBL22058517 0.81 ADORA3 (0.37) MEN1KMT2A
SCHEMBL21394267 0.81 MEN1 (0.37) MEN1KMT2A
SCHEMBL21393976 0.81 ADORA3 (0.37) MEN1KMT2A
SCHEMBL21393977 0.81 MEN1 (0.37) MEN1KMT2A
SCHEMBL12097032 0.81 TDO2 (0.38) TDO2HTR2BHTR5ABCHEPARP14
SCHEMBL15593044 0.81 ADORA2A (0.39) MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230126850-A1 HETEROCYCLIC SPIRO COMPOUNDS MERCK PATENT GMBH (DE) 2023-04-27 US disclosed
US-20230126850-A1 HETEROCYCLIC SPIRO COMPOUNDS MERCK PATENT GMBH (DE) 2023-04-27 US disclosed
US-11545634-B2 Heterocyclic spiro compounds MERCK PATENT GMBH (DE) 2023-01-03 US disclosed
US-10777750-B2 Heterocyclic spiro compounds BASF SE (DE) 2020-09-15 US disclosed
US-20200266364-A1 HETEROCYCLIC SPIRO COMPOUNDS MERCK PATENT GMBH (DE) 2020-08-20 US disclosed
US-20160308147-A1 HETEROCYCLIC SPIRO COMPOUNDS MERCK PATENT GMBH (DE) 2016-10-20 US disclosed
US-20160308147-A1 HETEROCYCLIC SPIRO COMPOUNDS MERCK PATENT GMBH (DE) 2016-10-20 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 (5 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-20160308147-A1 HETEROCYCLIC SPIRO COMPOUNDS NES, KCNC1, HCN4 TDO2 3696/4885HTR2B 2447/4885HTR5A 2974/4885
US-11545634-B2 Heterocyclic spiro compounds NES, KCNC1, HCN4 TDO2 3696/4885HTR2B 2447/4885HTR5A 2974/4885
US-20200266364-A1 HETEROCYCLIC SPIRO COMPOUNDS NES, KCNC1, HCN4 TDO2 3696/4885HTR2B 2447/4885HTR5A 2974/4885
US-20230126850-A1 HETEROCYCLIC SPIRO COMPOUNDS NES, KCNC1, HCN4 TDO2 3696/4885HTR2B 2447/4885HTR5A 2974/4885
US-10777750-B2 Heterocyclic spiro compounds NES, KCNC1, HCN4 TDO2 3696/4885HTR2B 2447/4885HTR5A 2974/4885

“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.