SCHEMBL3464633

SCHEMBL3464633

O=C1CCCC2(CCOc3cc(O)ccc32)N1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
PARP1 P09874 1/20 0.36
PARP2 Q9UGN5 1/20 0.36
BRD4 O60885 1/20 0.34
CREBBP Q92793 1/20 0.34
NPC1 O15118 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MAPT P10636 3/20 0.33
ALDH1A1 P00352 3/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ALOX15 P16050 1/20 0.33
AKR1B10 O60218 1/20 0.33
AKR1A1 P14550 1/20 0.33

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
SCHEMBL3465028 0.81 PDE7A (0.49) MEN1KMT2A
SCHEMBL4641520 0.67 MAP3K14 (0.42) MAOAMAOBALDH1A1KDM4EMAP3K14
SCHEMBL15964758 0.65 MAOA (0.54) MAOAMAOBBRD4CREBBPALDH1A1
SCHEMBL20080293 0.64 MAPT (0.56) MAOAMAOBTSHRRAB9ASMN1; SMN2
SCHEMBL11342164 0.63 AKR1B1 (0.71) MAPTAKR1B10AKR1A1AKR1B1
SCHEMBL23976523 0.62 MAPT (0.37) MAPTAKR1B10AKR1A1AKR1B1HTT
SCHEMBL29598243 0.62 MAOA (0.49) MAOAMAOB
SCHEMBL8699804 0.62 MAOA (0.49) MAOAMAOB
SCHEMBL3465090 0.61 PDE7A (0.53) PARP1PARP2SMN1; SMN2MEN1KMT2A
SCHEMBL16006554 0.61 PBRM1 (0.42) MAOAMAOBMAPTALDH1A1

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-20100168145-A1 FUSED IMIDAZOLE DERIVATIVES AND USE THEREOF AS ALDOSTERONE SYNTHASE INHIBITORS SPEEDEL EXPERIMENTA AG (CH) 2010-07-01 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-20100168145-A1 FUSED IMIDAZOLE DERIVATIVES AND USE THEREOF AS ALDOSTERONE SYNTHASE INHIBITORS CYP21A2, CYP11B1, CYP17A1 MAOA 322/4885MAOB 305/4885PARP1 2353/4885

“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.