SCHEMBL21274264

SCHEMBL21274264

CN[C@H]1C[C@H](n2cc(C#N)c3ccc(N4CCN(c5ccc(C(=O)C(C)(C)C)cc5)CC4)nc32)C1

nearest known ligand 0.32

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.32
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ MEN1 O00255 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ RXFP1 Q9HBX9 1/20 0.32
▸ AR P10275 3/20 0.32
▸ TBK1 Q9UHD2 7/20 0.32
▸ HSD11B1 P28845 2/20 0.31
▸ TRPA1 O75762 1/20 0.31
▸ JAK2 O60674 3/20 0.31

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
SCHEMBL21274262 1.00 MAPT (0.32) MAPTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL21273990 0.92 MAPT (0.35) MAPTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL21273988 0.92 MAPT (0.35) MAPTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL28503671 0.90 USP2 (0.37) —
SCHEMBL21268734 0.90 MAPT (0.39) MAPTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL21281509 0.90 MAPT (0.39) MAPTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL21268737 0.90 MAPT (0.39) MAPTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL21274023 0.89 KMT2A (0.41) MAPTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL21274025 0.89 KMT2A (0.41) MAPTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL21285561 0.88 CHRNA10 (0.37) MAPTSMN1; SMN2MEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200399268-A1 Pharmaceutical 6,5 Heterobicyclic Ring Derivatives EVOTEC (UK) LTD (GB) 2020-12-24 — — US claimed
EP-3752150-A1 PHARMACEUTICAL 6,5 HETEROBICYCLIC RING DERIVATIVES UCB Biopharma SRL (BE) 2020-12-23 — — EP claimed
WO-2019158731-A1 PHARMACEUTICAL 6,5 HETEROBICYCLIC RING DERIVATIVES UCB BIOPHARMA SPRL (BE) 2019-08-22 — — WO claimed
US-20200399268-A1 Pharmaceutical 6,5 Heterobicyclic Ring Derivatives EVOTEC (UK) LTD (GB) 2020-12-24 — — US disclosed
US-20200399268-A1 Pharmaceutical 6,5 Heterobicyclic Ring Derivatives EVOTEC (UK) LTD (GB) 2020-12-24 — — US disclosed
EP-3752150-A1 PHARMACEUTICAL 6,5 HETEROBICYCLIC RING DERIVATIVES UCB Biopharma SRL (BE) 2020-12-23 — — EP disclosed
WO-2019158731-A1 PHARMACEUTICAL 6,5 HETEROBICYCLIC RING DERIVATIVES UCB BIOPHARMA SPRL (BE) 2019-08-22 — — WO 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-20200399268-A1 Pharmaceutical 6,5 Heterobicyclic Ring Derivatives STING1, IRF3, NFATC1 MAPT 2459/4885SMN1; SMN2 2435/4885MEN1 3236/4885

“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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