SCHEMBL4404356

SCHEMBL4404356

C=C(C)OC(=O)N1CCn2cccc2C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SPR P35270 2/20 0.39
▸ PARP1 P09874 1/20 0.35
▸ KCNQ2 O43526 1/20 0.35
▸ HDAC6 Q9UBN7 2/20 0.34
▸ HDAC3 O15379 1/20 0.34
▸ HDAC1 Q13547 1/20 0.34
▸ HDAC7 Q8WUI4 1/20 0.34
▸ HDAC2 Q92769 1/20 0.34
▸ HDAC10 Q969S8 1/20 0.34
▸ HDAC11 Q96DB2 1/20 0.34
▸ HDAC8 Q9BY41 1/20 0.34
▸ HDAC5 Q9UQL6 1/20 0.34
▸ PRMT5 O14744 2/20 0.33
▸ NR1H2 P55055 2/20 0.33
▸ NOTUM Q6P988 1/20 0.33
▸ GPR119 Q8TDV5 1/20 0.32
▸ IDH1 O75874 1/20 0.31
▸ AVPR1A P37288 2/20 0.31
▸ KDM4E B2RXH2 2/20 0.31
▸ ALDH1A1 P00352 1/20 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
SCHEMBL9124207 0.80 NOTUM (0.50) SPRPARP1KCNQ2HDAC6HDAC3
SCHEMBL15998893 0.76 BLM (0.47) SPRPARP1KCNQ2HDAC6HDAC3
SCHEMBL14841950 0.73 ALDH1A1 (0.39) SPRPARP1KCNQ2HDAC6HDAC3
SCHEMBL14248999 0.73 RIPK1 (0.48) SPRKCNQ2HDAC6HDAC3HDAC1
SCHEMBL9121077 0.70 GRM5 (0.51) HDAC6AVPR1AALDH1A1AVPR2
SCHEMBL10310083 0.68 P2RX7 (0.43) PARP1NOTUMGPR119HSD17B10
SCHEMBL13319292 0.67 TDP1 (0.54) HSD17B10
SCHEMBL12955227 0.67 NR1H2 (0.61) HDAC6HDAC8NR1H2NOTUMKDM4E
SCHEMBL13763648 0.67 NR1H2 (0.68) NR1H2NOTUMKDM4EALDH1A1HSD17B10
SCHEMBL13385998 0.65 TDP1 (0.44) GPR119ALDH1A1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8178535-B2 Substituted sulfonamide compounds having bradykinin 1 receptor activity and use thereof as medicaments GRUENENTHAL GMBH (DE) 2012-05-15 — — US disclosed
US-20090203672-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2009-08-13 — — 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-20090203672-A1 Substituted Sulfonamide Compounds RPS4X, RPS4Y1, CACNA1A SPR 1409/4885PARP1 2633/4885KCNQ2 477/4885

“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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