SCHEMBL17478731

SCHEMBL17478731

COC(=O)c1cc(CN2CCOCC2)cnc1Cl

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HCRTR1 O43613 1/20 0.54
▸ HCRTR2 O43614 1/20 0.54
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ MAPK1 P28482 1/20 0.49
▸ KMT2A Q03164 2/20 0.48
▸ TSHR P16473 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ HIF1A Q16665 1/20 0.43
▸ EPAS1 Q99814 1/20 0.43
▸ FAAH O00519 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ ALOX15 P16050 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ GCK P35557 1/20 0.43

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
SCHEMBL17478892 0.86 HTT (0.46) SMN1; SMN2KDM4EHIF1AEPAS1ALDH1A1
SCHEMBL1645946 0.85 HCRTR1 (0.48) HCRTR1HCRTR2SMN1; SMN2MAPK1KMT2A
SCHEMBL17478943 0.84 OPRK1 (0.52) HCRTR1HCRTR2SMN1; SMN2MAPK1KDM4E
SCHEMBL17478877 0.82 OPRK1 (0.50) HCRTR1HCRTR2SMN1; SMN2MAPK1ALDH1A1
SCHEMBL3849724 0.77 PDE4A (0.42) SMN1; SMN2KMT2ATSHRKDM4EALDH1A1
SCHEMBL19680536 0.77 SMN1; SMN2 (0.48) SMN1; SMN2KMT2AKDM4EALDH1A1ALOX15
SCHEMBL2249598 0.76 HIF1A (0.58) SMN1; SMN2MAPK1KMT2ATSHRKDM4E
SCHEMBL13161998 0.76 SMN1; SMN2 (0.55) HCRTR1HCRTR2SMN1; SMN2MAPK1KMT2A
SCHEMBL31003833 0.76 HIF1A (0.58) SMN1; SMN2MAPK1KMT2ATSHRKDM4E
SCHEMBL30508265 0.75 AXL (0.58) HCRTR1HCRTR2SMN1; SMN2MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106573915-B Compounds active against bromodomains 纽韦卢森公司 2020-12-25 — — CN disclosed
US-10752640-B2 Compounds active towards bromodomains NUEVOLUTION A/S (DK) 2020-08-25 — — US disclosed
US-10752640-B2 Compounds active towards bromodomains NUEVOLUTION A/S (DK) 2020-08-25 — — US disclosed
US-20170349607-A1 COMPOUNDS ACTIVE TOWARDS BROMODOMAINS NUEVOLUTION A/S (DK) 2017-12-07 — — US disclosed
US-20170349607-A1 COMPOUNDS ACTIVE TOWARDS BROMODOMAINS NUEVOLUTION A/S (DK) 2017-12-07 — — US disclosed
US-20170349607-A1 COMPOUNDS ACTIVE TOWARDS BROMODOMAINS NUEVOLUTION A/S (DK) 2017-12-07 — — US disclosed
EP-3174868-A1 COMPOUNDS ACTIVE TOWARDS BROMODOMAINS Nuevolution A/S (DK) 2017-06-07 — — EP disclosed
WO-2016016316-A1 COMPOUNDS ACTIVE TOWARDS BROMODOMAINS NUEVOLUTION A/S (DK) 2016-02-04 — — 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 (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-20170349607-A1 COMPOUNDS ACTIVE TOWARDS BROMODOMAINS BRD4, BRD3, BRDT HCRTR1 3799/4885HCRTR2 3278/4885SMN1; SMN2 2459/4885
US-10752640-B2 Compounds active towards bromodomains BRD4, BRD3, BRDT HCRTR1 3799/4885HCRTR2 3278/4885SMN1; SMN2 2459/4885

“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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