SCHEMBL19972267

SCHEMBL19972267

CCOC(=O)CC(c1ccc(OC)cc1)C(C#N)C(=O)OCC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
ALDH1A1 P00352 3/20 0.40
POLB P06746 2/20 0.40
THRB P10828 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MAPT P10636 3/20 0.40
KMT2A Q03164 3/20 0.39
GAA P10253 2/20 0.39
HPGD P15428 2/20 0.39
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39

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
SCHEMBL28296991 0.90 FFAR1 (0.46) ALOX15L3MBTL1SMN1; SMN2ALDH1A1POLB
SCHEMBL6576846 0.86 SMN1; SMN2 (0.44) L3MBTL1SMN1; SMN2ALDH1A1NPSR1MAPT
SCHEMBL7247644 0.85 L3MBTL1 (0.44) L3MBTL1SMN1; SMN2ALDH1A1MAPTKMT2A
SCHEMBL7247968 0.85 SMN1; SMN2 (0.54) L3MBTL1SMN1; SMN2ALDH1A1KMT2AGAA
SCHEMBL7967955 0.81 MAPT (0.56) L3MBTL1SMN1; SMN2ALDH1A1MAPTKMT2A
SCHEMBL11813470 0.81 KMT2A (0.50) ALOX15L3MBTL1ALDH1A1POLBTHRB
SCHEMBL28676130 0.81 ALOX15 (0.43) ALOX15L3MBTL1SMN1; SMN2ALDH1A1POLB
SCHEMBL19972236 0.80 SMN1; SMN2 (0.40) ALOX15L3MBTL1SMN1; SMN2ALDH1A1THRB
Hydrochloric Acid SCHEMBL19972339 0.77 ALOX15 (0.45) ALOX15L3MBTL1SMN1; SMN2ALDH1A1POLB
SCHEMBL1042446 0.76 GAA (0.50) ALOX15SMN1; SMN2ALDH1A1POLBNPSR1

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-3515902-A1 6-MEMBERED CYCLIC AMINES OR LACTAMES SUBSTITUTED WITH UREA AND PHENYL Grünenthal GmbH (DE) 2019-07-31 EP disclosed
US-10265310-B2 6-membered cyclic amines or lactames substituted with urea and phenyl Grünenthal GmbH (DE) 2019-04-23 US disclosed
WO-2018054549-A1 6-MEMBERED CYCLIC AMINES OR LACTAMES SUBSTITUTED WITH UREA AND PHENYL Grünenthal GmbH (DE) 2018-03-29 WO disclosed
US-20180078541-A1 6-MEMBERED CYCLIC AMINES OR LACTAMES SUBSTITUTED WITH UREA AND PHENYL Grünenthal GmbH (DE) 2018-03-22 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-20180078541-A1 6-MEMBERED CYCLIC AMINES OR LACTAMES SUBSTITUTED WITH UREA AND PHENYL FPR2, FPR1, FPR3 ALOX15 86/4885L3MBTL1 4536/4885SMN1; SMN2 2418/4885
US-10265310-B2 6-membered cyclic amines or lactames substituted with urea and phenyl FPR2, FPR1, FPR3 ALOX15 86/4885L3MBTL1 4536/4885SMN1; SMN2 2418/4885

“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.