SCHEMBL4087896

SCHEMBL4087896

O=C1CCC[C@H]2CCC[C@@H](c3ccc(F)cc3)N12

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.48
ALDH1A1 P00352 3/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
TRPA1 O75762 3/20 0.42
HCRTR1 O43613 1/20 0.40
HCRTR2 O43614 1/20 0.40
P2RX7 Q99572 3/20 0.39
HRH3 Q9Y5N1 1/20 0.37
MAPK1 P28482 1/20 0.36
LMNA P02545 1/20 0.36
PTBP1 P26599 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ALOX15 P16050 1/20 0.36
HTT P42858 2/20 0.36
MAPT P10636 2/20 0.35
HSP90AA1 P07900 1/20 0.35

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
SCHEMBL4511395 1.00 TSHR (0.48) TSHRALDH1A1MEN1KMT2ATRPA1
SCHEMBL4511780 1.00 TSHR (0.48) TSHRALDH1A1MEN1KMT2ATRPA1
SCHEMBL4511392 1.00 TSHR (0.48) TSHRALDH1A1MEN1KMT2ATRPA1
SCHEMBL4512076 0.95 MEN1 (0.50) TSHRALDH1A1MEN1KMT2ATRPA1
SCHEMBL4522287 0.94 ALDH1A1 (0.48) TSHRALDH1A1MEN1KMT2ATRPA1
SCHEMBL2585749 0.94 ALDH1A1 (0.48) TSHRALDH1A1MEN1KMT2ATRPA1
SCHEMBL5092003 0.94 ALDH1A1 (0.48) TSHRALDH1A1MEN1KMT2ATRPA1
SCHEMBL4514655 0.87 TSHR (0.42) TSHRALDH1A1MEN1KMT2ATRPA1
SCHEMBL4499380 0.84 MEN1 (0.50) TSHRALDH1A1MEN1KMT2AHCRTR1
SCHEMBL2583986 0.84 MEN1 (0.50) TSHRALDH1A1MEN1KMT2AHCRTR1

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-20090203697-A1 HETEROCYCLIC TYPE CINNAMIDE DERIVATIVE EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-08-13 US disclosed
EP-2019094-A1 HETEROCYCLIC TYPE CINNAMIDE DERIVATIVE Eisai R&D Management Co., Ltd. (JP) 2009-01-28 EP 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-20090203697-A1 HETEROCYCLIC TYPE CINNAMIDE DERIVATIVE CLIC4, NR3C2, MAN2B1 TSHR 2351/4885ALDH1A1 159/4885MEN1 498/4885

“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.