SCHEMBL11956535

SCHEMBL11956535

CCN1CCn2c(c(Cl)c3ccccc32)C1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 2/20 0.41
ALDH1A1 P00352 4/20 0.41
LMNA P02545 3/20 0.41
HTT P42858 2/20 0.41
NPC1 O15118 2/20 0.41
MAPT P10636 2/20 0.41
RAB9A P51151 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
TLR9 Q9NR96 2/20 0.41
MITF O75030 1/20 0.41
AGTR1 P30556 1/20 0.41
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
PER2 O15055 1/20 0.38
KDM4E B2RXH2 1/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
HSD17B10 Q99714 1/20 0.38
GRM2 Q14416 2/20 0.36

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
SCHEMBL14996502 0.80 PDE4A (0.44) PDE4AALDH1A1LMNAHTTNPC1
SCHEMBL803455 0.77 PDE4A (0.41) PDE4AALDH1A1LMNAHTTNPC1
SCHEMBL18330419 0.69 PDE4A (0.71) PDE4A
SCHEMBL23607688 0.66 KMT2A (0.51) HTTGRM2P2RX7POLBL3MBTL1
SCHEMBL805481 0.66 POLB (0.41) HTTMAPTSMN1; SMN2P2RX7POLB
SCHEMBL12566554 0.64 GAA (0.48) ALDH1A1LMNAHTTMAPTNPSR1
SCHEMBL29078843 0.64 ALDH1A1 (0.62) ALDH1A1LMNAHTTNPC1MAPT
SCHEMBL11759308 0.64 POLB (0.40) ALDH1A1LMNAHTTMAPTNPSR1
SCHEMBL18134861 0.63 HTT (0.46) ALDH1A1HTTNPC1MAPTRAB9A
SCHEMBL22490639 0.62 HRH3 (0.37) PDE4AGRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8492559-B2 Substituted indole compounds GRUENENTHAL GMBH (DE) 2013-07-23 US disclosed
US-8232288-B2 Substituted benzimidazoles, benzothiazoles and benzoxazoles GRUENENTHAL GMBH (DE) 2012-07-31 US disclosed
US-20110009382-A1 Substituted Benzimidazoles, Benzothiazoles and Benzoxazoles GRUENENTHAL GMBH (DE) 2011-01-13 US disclosed
US-20100249095-A1 Substituted Spiro-amide Compounds GRUENENTHAL GMBH (DE) 2010-09-30 US disclosed
US-20100222324-A1 Substituted Indole Compounds GRUENENTHAL GMBH (DE) 2010-09-02 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 (3 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-20100222324-A1 Substituted Indole Compounds BDKRB1, BDKRB2, EDNRB PDE4A 2209/4885ALDH1A1 1551/4885LMNA 2571/4885
US-20110009382-A1 Substituted Benzimidazoles, Benzothiazoles and Benzoxazoles BDKRB1, BDKRB2, BRD1 PDE4A 2476/4885ALDH1A1 1533/4885LMNA 2065/4885
US-20100249095-A1 Substituted Spiro-amide Compounds BDKRB1, BDKRB2, REN PDE4A 1509/4885ALDH1A1 2086/4885LMNA 1187/4885

“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.