SCHEMBL19865053

SCHEMBL19865053

Cc1ccc(C)c(N2CCC(F)C2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 1/20 0.49
TSHR P16473 3/20 0.47
ALDH1A1 P00352 2/20 0.47
HTT P42858 1/20 0.47
FFAR4 Q5NUL3 1/20 0.46
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
HSD17B10 Q99714 2/20 0.43
MAPT P10636 1/20 0.43
USP2 O75604 2/20 0.43
KDM4E B2RXH2 1/20 0.43
GAA P10253 1/20 0.42
ALOX12 P18054 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
LMNA P02545 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL19862434 0.81 ACACB (0.40) HTTMAPTSMN1; SMN2LMNA
SCHEMBL11543982 0.79 SLC18A3 (0.46) SLC18A3TSHRALDH1A1HTTFFAR4
SCHEMBL27703196 0.79 SLC18A3 (0.55) SLC18A3TSHRALDH1A1HTTFFAR4
SCHEMBL21859467 0.78 BPTF (0.47) SLC18A3TSHRALDH1A1HTTFFAR4
SCHEMBL21413772 0.78 FFAR4 (0.41) TSHRALDH1A1FFAR4KDM4EGAA
SCHEMBL31717163 0.78 MAPT (0.39) SLC18A3ALDH1A1HTTFFAR4MEN1
SCHEMBL25016623 0.74 ADRB1 (0.47) ALDH1A1MEN1KMT2AMAPTLMNA
SCHEMBL25016051 0.74 ADRB1 (0.47) ALDH1A1MEN1KMT2AMAPTLMNA
SCHEMBL25017026 0.74 ADRB1 (0.47) ALDH1A1MEN1KMT2AMAPTLMNA
SCHEMBL3162979 0.74 SLC18A3 (0.57) SLC18A3TSHRALDH1A1HTTMEN1

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-20180044338-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2018-02-15 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-20180044338-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 SLC18A3 3711/4885TSHR 2703/4885ALDH1A1 1910/4885

“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.