SCHEMBL1095809

SCHEMBL1095809

COC(=O)c1ccc(N2CCC(O)CC2)nc1

nearest known ligand 0.66

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.66
NPC1 O15118 2/20 0.66
KMT2A Q03164 1/20 0.66
HRH3 Q9Y5N1 7/20 0.60
CRBN Q96SW2 4/20 0.57
DDB1 Q16531 2/20 0.52
OGA O60502 1/20 0.52
MAPK1 P28482 2/20 0.49
MAPT P10636 2/20 0.48
AOC3 Q16853 1/20 0.48
KDM4E B2RXH2 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
TSHR P16473 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL3601426 0.92 RAB9A (0.57) RAB9ANPC1KMT2AHRH3CRBN
SCHEMBL18555777 0.88 RAB9A (0.64) RAB9ANPC1KMT2AHRH3CRBN
SCHEMBL3895677 0.85 RAB9A (0.72) RAB9ANPC1KMT2AHRH3CRBN
SCHEMBL25141661 0.85 NPC1 (0.62) RAB9ANPC1KMT2AHRH3CRBN
SCHEMBL13059656 0.84 RAB9A (0.60) RAB9ANPC1KMT2AHRH3CRBN
SCHEMBL12734207 0.84 HRH3 (0.57) RAB9ANPC1KMT2AHRH3MAPT
SCHEMBL7326778 0.84 RAB9A (0.71) RAB9ANPC1KMT2AHRH3CRBN
SCHEMBL31239342 0.84 RAB9A (0.60) RAB9ANPC1KMT2AHRH3CRBN
SCHEMBL23768897 0.84 RAB9A (0.60) RAB9ANPC1KMT2AHRH3CRBN
SCHEMBL5759243 0.83 HRH3 (0.59) RAB9ANPC1KMT2AHRH3MAPK1

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-8153624-B2 Compounds and methods for modulating FXR ELI LILLY AND COMPANY (US) 2012-04-10 US disclosed
US-20100152166-A1 COMPOUNDS AND METHODS FOR MODULATING FXR ELI LILLY AND COMPANY (US) 2010-06-17 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-20100152166-A1 COMPOUNDS AND METHODS FOR MODULATING FXR NR1H4, FXR1, SLC10A1 RAB9A 1687/4885NPC1 14/4885KMT2A 4379/4885

“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.