SCHEMBL20958747

SCHEMBL20958747

N[C@@H]1CCCC[C@H]1Oc1ccccn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FURIN P09958 1/20 0.49
▸ PIM1 P11309 1/20 0.44
▸ PIM3 Q86V86 1/20 0.44
▸ PIM2 Q9P1W9 1/20 0.44
▸ LTA4H P09960 1/20 0.35
▸ PTGS2 P35354 1/20 0.35
▸ AVPR1A P37288 4/20 0.35
▸ CYP1A2 P05177 2/20 0.35
▸ GRM5 P41594 1/20 0.35
▸ LOX P28300 1/20 0.35
▸ LOXL2 Q9Y4K0 1/20 0.35
▸ PKM P14618 1/20 0.34
▸ HRH3 Q9Y5N1 1/20 0.34
▸ HCRTR2 O43614 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ CCR1 P32246 1/20 0.33
▸ CCR5 P51681 1/20 0.33
▸ CCR8 P51685 1/20 0.33

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
SCHEMBL19153254 0.83 KDM4E (0.47) FURINPIM1PIM3PIM2CYP1A2
SCHEMBL19153531 0.83 KDM4E (0.47) FURINPIM1PIM3PIM2CYP1A2
SCHEMBL19153621 0.83 KDM4E (0.47) FURINPIM1PIM3PIM2CYP1A2
SCHEMBL19154409 0.83 KDM4E (0.47) FURINPIM1PIM3PIM2CYP1A2
SCHEMBL5857731 0.80 FURIN (0.46) FURINLTA4HPTGS2AVPR1ACYP1A2
SCHEMBL10427483 0.78 FURIN (0.50) FURINAVPR1AHCRTR2EPHX2
SCHEMBL5857725 0.77 FURIN (0.50) FURINCYP1A2GRM5PKMHRH3
SCHEMBL2691952 0.77 LOX (0.50) FURINAVPR1ALOXLOXL2HRH3
SCHEMBL27677029 0.77 FURIN (0.46) FURINPIM1PIM3PIM2LTA4H
SCHEMBL12949338 0.75 LOX (0.53) FURINAVPR1ACYP1A2GRM5LOX

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
CN-111032651-A Heterocyclic compounds 武田药品工业株式会社 2020-04-17 — — CN disclosed
US-10435399-B2 HDAC6 inhibitory heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-10-08 — — US disclosed
US-20190135799-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-05-09 — — 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-10435399-B2 HDAC6 inhibitory heterocyclic compound HDAC6, HDAC1, HDAC5 FURIN 4200/4885PIM1 3449/4885PIM3 3439/4885
US-20190135799-A1 HETEROCYCLIC COMPOUND HDAC1, HDAC5, HDAC6 FURIN 2374/4885PIM1 3028/4885PIM3 3399/4885

“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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