SCHEMBL4521091

SCHEMBL4521091

O=C1CCC[C@@H]2CCC[C@H](c3ccccc3F)N12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
KMT2A Q03164 4/20 0.41
TSHR P16473 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
GAA P10253 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MEN1 O00255 3/20 0.39
LMNA P02545 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
OPRM1 P35372 1/20 0.39
OPRK1 P41145 1/20 0.39
OPRL1 P41146 1/20 0.39
HCRTR1 O43613 3/20 0.39
HCRTR2 O43614 3/20 0.39
KDM4E B2RXH2 1/20 0.39
RIPK1 Q13546 6/20 0.38

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
SCHEMBL4521089 1.00 ALDH1A1 (0.41) ALDH1A1KMT2ATSHRNPC1RAB9A
SCHEMBL4503119 0.79 ALDH1A1 (0.41) ALDH1A1KMT2ATSHRNPC1RAB9A
SCHEMBL4503116 0.79 ALDH1A1 (0.41) ALDH1A1KMT2ATSHRNPC1RAB9A
SCHEMBL5089034 0.79 ALDH1A1 (0.41) ALDH1A1KMT2ATSHRNPC1RAB9A
SCHEMBL2587450 0.77 P2RX7 (0.38) ALDH1A1KMT2ATSHRNPC1RAB9A
SCHEMBL2575522 0.77 P2RX7 (0.38) ALDH1A1KMT2ATSHRMEN1HCRTR1
SCHEMBL4511780 0.76 TSHR (0.48) ALDH1A1KMT2ATSHRSMN1; SMN2MEN1
SCHEMBL4511395 0.76 TSHR (0.48) ALDH1A1KMT2ATSHRSMN1; SMN2MEN1
SCHEMBL4087896 0.76 TSHR (0.48) ALDH1A1KMT2ATSHRSMN1; SMN2MEN1
SCHEMBL4511392 0.76 TSHR (0.48) ALDH1A1KMT2ATSHRSMN1; SMN2MEN1

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 ALDH1A1 869/4885KMT2A 3271/4885TSHR 4749/4885
US-20070117839-A1 Two cyclic cinnamide compound APP, BACE1, PSEN1 ALDH1A1 869/4885KMT2A 3271/4885TSHR 4749/4885

“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.