SCHEMBL17005756

SCHEMBL17005756

CCC(=O)N1CCc2cc[c]cc2C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
NOTUM Q6P988 2/20 0.44
KDM4E B2RXH2 1/20 0.44
NLRP3 Q96P20 1/20 0.43
HDAC3 O15379 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
TAAR1 Q96RJ0 2/20 0.41
DPP8 Q6V1X1 1/20 0.41
DPP7 Q9UHL4 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
HPGDS O60760 1/20 0.40
TSHR P16473 2/20 0.40
HSD17B10 Q99714 2/20 0.40
ALDH1A1 P00352 2/20 0.40
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 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
SCHEMBL3996959 0.85 DPP8 (0.44) MEN1KMT2ANOTUMKDM4ENLRP3
SCHEMBL8013063 0.83 NOTUM (0.63) MEN1KMT2ANOTUMKDM4ETAAR1
SCHEMBL13487186 0.80 NOTUM (0.67) MEN1KMT2ANOTUMKDM4ENLRP3
SCHEMBL303340 0.80 NOTUM (0.67) MEN1KMT2ANOTUMKDM4ENLRP3
SCHEMBL23360751 0.79 NOTUM (0.43) MEN1KMT2ANOTUMTAAR1NPC1
SCHEMBL697852 0.79 KMT2A (0.41) MEN1KMT2ANOTUMKDM4ENLRP3
SCHEMBL18351760 0.79 HPGD (0.51) KMT2ANPC1RAB9AALDH1A1HPGD
SCHEMBL1202085 0.77 ALDH1A1 (0.48) MEN1KMT2ANOTUMKDM4ETSHR
SCHEMBL3486703 0.77 NOTUM (0.63) MEN1KMT2ANOTUMKDM4ETAAR1
SCHEMBL952264 0.77 ESR1 (0.59) MEN1KMT2ANOTUMHDAC3HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3752492-B1 FUNGICIDAL OXADIAZOLES BAYER AG (DE) 2022-12-21 EP disclosed
US-20210147371-A1 OXADIAZOLINE DERIVATIVES BAYER AKTIENGESELLSCHAFT (DE) 2021-05-20 US disclosed
US-9533989-B2 Substituted pyrimidine-5-carboxamides as spleen tyrosine kinase inhibitors Ziarco Pharma Ltd. (GB) 2017-01-03 US disclosed
US-20150232470-A1 2-(-Aminocyclohexyl)Amino-Pyrimidine-5-Carboxamides as Spleen Tyrosine Kinasei(SYK) Inhibitors PFIZER LIMITED (GB) 2015-08-20 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 (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-20210147371-A1 OXADIAZOLINE DERIVATIVES DDT, FOXO3, PDCD4 MEN1 3944/4885KMT2A 3107/4885NOTUM 292/4885
US-20150232470-A1 2-(-Aminocyclohexyl)Amino-Pyrimidine-5-Carboxamides as Spleen Tyrosine Kinasei(SYK) Inhibitors SYK, BTK, LCK MEN1 4843/4885KMT2A 1763/4885NOTUM 1664/4885

“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.