SCHEMBL16756330

SCHEMBL16756330

COC(=O)N1CCC(c2ccc3nc(C)n(Cc4ccccc4OC(F)F)c3c2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P2RX3 P56373 1/20 0.38
▸ PDE4B Q07343 3/20 0.38
▸ PDE4A P27815 1/20 0.38
▸ PDE4C Q08493 1/20 0.38
▸ PDE4D Q08499 1/20 0.38
▸ CYP2D6 P10635 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ MAP3K7 O43318 1/20 0.37
▸ TAB1 Q15750 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ HDAC3 O15379 1/20 0.37
▸ HDAC4 P56524 1/20 0.37
▸ HDAC1 Q13547 1/20 0.37
▸ HDAC7 Q8WUI4 1/20 0.37
▸ HDAC2 Q92769 1/20 0.37
▸ HDAC10 Q969S8 1/20 0.37
▸ HDAC11 Q96DB2 1/20 0.37
▸ HDAC8 Q9BY41 1/20 0.37
▸ HDAC6 Q9UBN7 1/20 0.37

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
SCHEMBL16756319 0.91 TLR9 (0.41) PDE4BMEN1KMT2AMAP3K7TAB1
SCHEMBL16756565 0.88 MEN1 (0.39) MEN1KMT2AMAP3K7TAB1HDAC3
SCHEMBL16756328 0.84 RAB9A (0.39) P2RX3MEN1KMT2AMAP3K7TAB1
SCHEMBL16756314 0.84 ALDH1A1 (0.37) MEN1KMT2ATLR8TLR7ACSS2
SCHEMBL16756365 0.84 TLR7 (0.43) CYP2D6TLR8TLR7ACSS2SOS1
SCHEMBL16756403 0.79 KDM4E (0.48) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL16756251 0.78 WNT3A (0.41) MEN1KMT2AMAP3K7TAB1
SCHEMBL16756406 0.76 PPARD (0.39) MEN1KMT2AMAP3K7TAB1TLR7
SCHEMBL16756605 0.76 GALR3 (0.40) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL16756518 0.75 PPARD (0.38) HDAC3HDAC4HDAC1HDAC7HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2858983-B1 TNF-ALPHA MODULATING BENZIMIDAZOLES UCB BIOPHARMA SPRL (BE) 2018-04-18 — — EP disclosed
US-9550737-B2 TNF -α modulating benzimidazoles UCB BIOPHARMA SPRL (BE) 2017-01-24 — — US disclosed
US-20150152065-A1 TNF -Alpha Modulating Benzimidazoles UCB BIOPHARMA SPRL (BE) 2015-06-04 — — 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-20150152065-A1 TNF -Alpha Modulating Benzimidazoles TNF, TNFRSF1A, NFKBIA P2RX3 267/4885PDE4B 851/4885PDE4A 359/4885

“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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