SCHEMBL17002809

SCHEMBL17002809

COC(=O)c1cc(C2CC2C(=O)OC(C)(C)C)ccc1F

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.41
▸ HPGD P15428 2/20 0.41
▸ TSHR P16473 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ PDE4B Q07343 2/20 0.39
▸ KDM1A O60341 1/20 0.39
▸ MAOA P21397 1/20 0.39
▸ SLC9A1 P19634 1/20 0.37
▸ IDO1 P14902 2/20 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
SCHEMBL17002812 1.00 ALDH1A1 (0.41) ALDH1A1HPGDTSHRHSD17B10PDE4B
SCHEMBL17002845 0.85 PDE4B (0.49) PDE4BKDM1A
SCHEMBL17002842 0.85 PDE4B (0.49) PDE4BKDM1A
SCHEMBL30394598 0.85 PDE4B (0.49) PDE4BKDM1A
SCHEMBL17002746 0.83 ALDH1A1 (0.45) ALDH1A1HPGDTSHRHSD17B10KDM1A
SCHEMBL17002748 0.83 ALDH1A1 (0.45) ALDH1A1HPGDTSHRHSD17B10KDM1A
SCHEMBL17002687 0.81 KDM1A (0.56) ALDH1A1HPGDTSHRHSD17B10PDE4B
SCHEMBL17002684 0.81 KDM1A (0.56) ALDH1A1HPGDTSHRHSD17B10PDE4B
SCHEMBL17003336 0.79 HTT (0.45) ALDH1A1HPGDTSHRHSD17B10KDM1A
SCHEMBL17003334 0.79 HTT (0.45) ALDH1A1HPGDTSHRHSD17B10KDM1A

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-2907802-B1 CYCLOPROPANAMINE COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICALS CO (JP) 2019-08-07 — — EP disclosed
US-9751885-B2 Cyclopropanamine compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-09-05 — — US disclosed
US-20150266881-A1 CYCLOPROPANAMINE COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-09-24 — — US disclosed
EP-2907802-A1 CYCLOPROPANAMINE COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2015-08-19 — — 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-20150266881-A1 CYCLOPROPANAMINE COMPOUND AND USE THEREOF BHMT, HNMT, KDM1A ALDH1A1 392/4885HPGD 444/4885TSHR 3427/4885

“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.

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