SCHEMBL4474004

SCHEMBL4474004

COc1cc2c(c(C)c1C)N(c1nc3ccccc3s1)CC1(CCC1)C2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.41
TSHR P16473 3/20 0.41
ALDH1A1 P00352 2/20 0.41
PPARG P37231 1/20 0.41
NCOA2 Q15596 1/20 0.41
NCOA1 Q15788 1/20 0.41
NCOA3 Q9Y6Q9 1/20 0.41
PDE10A Q9Y233 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
HCRTR1 O43613 2/20 0.36
MAPK1 P28482 2/20 0.36
MAPT P10636 2/20 0.36
KDM4E B2RXH2 1/20 0.36
GLA P06280 1/20 0.36
GAA P10253 1/20 0.36
GPX4 P36969 2/20 0.36
HCRTR2 O43614 1/20 0.35
DDB1 Q16531 1/20 0.35
CRBN Q96SW2 1/20 0.35

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
SCHEMBL4462034 0.86 MAPK1 (0.37) RAB9ATSHRALDH1A1PDE10AMEN1
SCHEMBL4467811 0.76 ALDH1A1 (0.40) RAB9AALDH1A1KDM4EGAANPC1
SCHEMBL5316270 0.75 JAK2 (0.34) ALDH1A1MEN1KMT2AKDM4EGLA
SCHEMBL4464426 0.73 NPC1 (0.38) RAB9AALDH1A1MEN1KMT2AMAPT
SCHEMBL4469389 0.69
SCHEMBL4467040 0.69
SCHEMBL4462865 0.68 ALDH1A1 (0.32) ALDH1A1MAPK1KDM4E
SCHEMBL4468490 0.64 AKT1 (0.31) KDM4E
SCHEMBL4468239 0.61 ALDH1A1 (0.31) ALDH1A1GAA
SCHEMBL4815658 0.60 CRBN (0.58) RAB9ATSHRALDH1A1PPARGNCOA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7576094-B2 Spiro derivatives as lipoxygenase inhibitors ELI LILLY AND COMPANY (US) 2009-08-18 US disclosed
US-20060128790-A1 Spiro derivatives as lipoxygenase inhibitors GALILEO PHARMACEUTICALS, INC. 2006-06-15 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-20060128790-A1 Spiro derivatives as lipoxygenase inhibitors ALOX15B, ALOX5, ALOX15 RAB9A 3169/4885TSHR 2301/4885ALDH1A1 169/4885

“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.