SCHEMBL10314232

SCHEMBL10314232

COc1c(C(=O)N2CCC[C@H](N)C2)n(C)c2c1c(=O)n(CC(=O)c1ccccc1)c1ccccc21

nearest known ligand 0.62

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 6/20 0.43
▸ KCNH2 Q12809 2/20 0.43
▸ PADI4 Q9UM07 2/20 0.42
▸ CHRM1 P11229 4/20 0.42
▸ CHRM2 P08172 1/20 0.42
▸ CHRM3 P20309 1/20 0.42

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
SCHEMBL10314234 1.00 DPP4 (0.43) DPP4KCNH2PADI4CHRM1CHRM2
SCHEMBL17677381 1.00 DPP4 (0.43) DPP4KCNH2PADI4CHRM1CHRM2
Hydrochloric Acid SCHEMBL1062646 0.99 DPP4 (0.42) DPP4KCNH2PADI4CHRM1CHRM2
Hydrochloric Acid SCHEMBL1061118 0.99 DPP4 (0.42) DPP4KCNH2PADI4CHRM1CHRM2
SCHEMBL10314231 0.95 SMN1; SMN2 (0.42) DPP4KCNH2CHRM1
Hydrochloric Acid SCHEMBL1055344 0.94 SMN1; SMN2 (0.42) DPP4KCNH2CHRM1
SCHEMBL10314233 0.91 ALDH1A1 (0.40) —
SCHEMBL10314493 0.90 SMN1; SMN2 (0.43) —
Hydrochloric Acid SCHEMBL1056923 0.90 ALDH1A1 (0.40) —
Hydrochloric Acid SCHEMBL1079829 0.90 SMN1; SMN2 (0.43) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8399449-B2 Fused heterocyclic derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-03-19 — — US disclosed
US-8399449-B2 Fused heterocyclic derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-03-19 — — US disclosed
US-8217176-B2 Fused heterocyclic derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-07-10 — — US disclosed
US-8217176-B2 Fused heterocyclic derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-07-10 — — US disclosed
US-20110003788-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-01-06 — — US disclosed
US-20110003788-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-01-06 — — US disclosed
US-20090227561-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-09-10 — — US disclosed
US-20090227561-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-09-10 — — US disclosed
WO-2009107850-A2 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-09-03 — — 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-20110003788-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF SMO, NR1H2, NR1H4 DPP4 3829/4885KCNH2 1390/4885PADI4 4049/4885
US-20090227561-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF SMO, NR1H2, NR1H4 DPP4 3878/4885KCNH2 1681/4885PADI4 4352/4885

“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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