SCHEMBL3471476

SCHEMBL3471476

O=C(c1ccc(-c2cc(C(F)(F)F)nn2-c2ccccc2Cl)cc1)N1CCN(c2ncccn2)CC1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A7 Q99884 15/20 0.57
USP2 O75604 1/20 0.54
MAPT P10636 1/20 0.54
MAPK1 P28482 1/20 0.54
ALDH1A1 P00352 1/20 0.53
TSHR P16473 1/20 0.53
SLC6A3 Q01959 1/20 0.52
RXRA P19793 1/20 0.50
NR1H2 P55055 1/20 0.50
NR1H3 Q13133 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.49
CNR1 P21554 1/20 0.49
MGLL Q99685 1/20 0.48

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
SCHEMBL3470777 0.90 PKM (0.65) SLC6A7USP2MAPTMAPK1ALDH1A1
SCHEMBL3473795 0.88 RXRA (0.49) SLC6A7USP2MAPTMAPK1TSHR
SCHEMBL3471846 0.88 RXRA (0.51) SLC6A7MAPTALDH1A1RXRANR1H2
SCHEMBL3471504 0.88 KDM4E (0.52) USP2MAPTMAPK1ALDH1A1TSHR
SCHEMBL3472568 0.88 RXRA (0.51) SLC6A7MAPTMAPK1ALDH1A1RXRA
SCHEMBL3470736 0.88 RXRA (0.56) SLC6A7MAPTMAPK1RXRANR1H2
SCHEMBL3472549 0.88 RXRA (0.56) MAPTMAPK1TSHRRXRANR1H2
SCHEMBL3474954 0.87 SLC6A7 (0.57) SLC6A7MAPTMAPK1ALDH1A1RXRA
SCHEMBL3471233 0.87 RXRA (0.56) SLC6A7ALDH1A1RXRANR1H2NR1H3
SCHEMBL3472038 0.87 RXRA (0.58) SLC6A7MAPTALDH1A1RXRANR1H2

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-8703805-B2 Modulators of LXR EXELIXIS PATENT COMPANY LLC (US) 2014-04-22 US disclosed
US-20100331295-A1 MODULATORS OF LXR EXELIXIS, INC. (US) 2010-12-30 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-20100331295-A1 MODULATORS OF LXR NR1H2, NR1H3, NR1H4 SLC6A7 3064/4885USP2 4131/4885MAPT 4737/4885

“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.