SCHEMBL4512076

SCHEMBL4512076

O=C1CCCC[C@@H]2CCC[C@H](c3ccc(F)cc3)N12

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
ALDH1A1 P00352 2/20 0.50
TSHR P16473 1/20 0.50
TRPA1 O75762 1/20 0.41
HCRTR1 O43613 1/20 0.39
HCRTR2 O43614 1/20 0.39
TP53 P04637 2/20 0.39
GLA P06280 1/20 0.39
POLB P06746 1/20 0.39
HTT P42858 1/20 0.38
P2RX7 Q99572 3/20 0.38
NPSR1 Q6W5P4 2/20 0.37
MAPT P10636 1/20 0.37
GAA P10253 1/20 0.37
HRH3 Q9Y5N1 1/20 0.36

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
SCHEMBL4511780 0.95 TSHR (0.48) MEN1KMT2AALDH1A1TSHRTRPA1
SCHEMBL4087896 0.95 TSHR (0.48) MEN1KMT2AALDH1A1TSHRTRPA1
SCHEMBL4511392 0.95 TSHR (0.48) MEN1KMT2AALDH1A1TSHRTRPA1
SCHEMBL4511395 0.95 TSHR (0.48) MEN1KMT2AALDH1A1TSHRTRPA1
SCHEMBL5092003 0.92 ALDH1A1 (0.48) MEN1KMT2AALDH1A1TSHRTRPA1
SCHEMBL4522287 0.92 ALDH1A1 (0.48) MEN1KMT2AALDH1A1TSHRTRPA1
SCHEMBL2585749 0.92 ALDH1A1 (0.48) MEN1KMT2AALDH1A1TSHRTRPA1
SCHEMBL4514655 0.82 TSHR (0.42) MEN1KMT2AALDH1A1TSHRTRPA1
SCHEMBL4499380 0.80 MEN1 (0.50) MEN1KMT2AALDH1A1TSHRHCRTR1
SCHEMBL4499379 0.80 MEN1 (0.50) MEN1KMT2AALDH1A1TSHRHCRTR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1953158-B1 BICYCLIC CINNAMIDE COMPOUND EISAI R&D MAN CO LTD (JP) 2012-09-12 EP disclosed
US-20090181945-A1 TWO CYCLIC CINNAMIDE COMPOUND KIMURA TEIJI 2009-07-16 US disclosed
EP-1953158-A1 BICYCLIC CINNAMIDE COMPOUND Eisai R&D Management Co., Ltd. (JP) 2008-08-06 EP disclosed
US-20070117839-A1 Two cyclic cinnamide compound EISAI R&D MANAGEMENT CO., LTD. 2007-05-24 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 (2 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-20090181945-A1 TWO CYCLIC CINNAMIDE COMPOUND APP, BACE1, PSEN1 MEN1 184/4885KMT2A 3271/4885ALDH1A1 869/4885
US-20070117839-A1 Two cyclic cinnamide compound APP, BACE1, PSEN1 MEN1 184/4885KMT2A 3271/4885ALDH1A1 869/4885

“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.