SCHEMBL12365255

SCHEMBL12365255

COC(=O)c1ccc2c(c1)C(c1cccc(CN(C)C)c1)=CCC2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ MAPT P10636 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ LOXL2 Q9Y4K0 1/20 0.41
▸ HTR7 P34969 1/20 0.40
▸ CYP4F2 P78329 2/20 0.40
▸ CYP4A11 Q02928 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ F2 P00734 1/20 0.38
▸ F10 P00742 1/20 0.38
▸ PRSS1 P07477 1/20 0.38
▸ CHUK O15111 1/20 0.38
▸ INSR P06213 1/20 0.38
▸ MAPK8 P45983 1/20 0.38
▸ CAMKK2 Q96RR4 1/20 0.38
▸ NR3C1 P04150 1/20 0.37

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
SCHEMBL2259471 0.89 MEN1 (0.38) KDM4EALDH1A1MAPTRAB9ASMN1; SMN2
SCHEMBL12365061 0.88 CYP4F2 (0.45) KDM4EALDH1A1MAPTRAB9ASMN1; SMN2
SCHEMBL12389043 0.88 AOC3 (0.43) RAB9AHTR7CHUKINSRMAPK8
SCHEMBL12366703 0.83 HTR2B (0.40) HTR7F2F10PRSS1CHUK
SCHEMBL12364980 0.82 MAPK14 (0.42) ALDH1A1MAPTRAB9ALOXL2CYP4F2
SCHEMBL12365070 0.82 RARA (0.41) KDM4EALDH1A1MAPTRAB9ASMN1; SMN2
SCHEMBL2259460 0.82 PTGS2 (0.47) MAPTRAB9AMEN1KMT2ATSHR
SCHEMBL12364999 0.81 SLC6A3 (0.47) KDM4EALDH1A1MAPTRAB9AMEN1
SCHEMBL12365033 0.81 HSD17B3 (0.41) RAB9ALOXL2CYP4F2CYP4A11ROCK2
SCHEMBL12364998 0.81 MAPK14 (0.44) ALDH1A1MAPTRAB9ASMN1; SMN2LOXL2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110207729-A1 BICYCLIC ACYLGUANIDINE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2011-08-25 — — 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-20110207729-A1 BICYCLIC ACYLGUANIDINE DERIVATIVE HTR5A, HTR2A, HTR1E KDM4E 1455/4885ALDH1A1 934/4885MAPT 463/4885

“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.

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