SCHEMBL12965393

SCHEMBL12965393

Cc1nc(N2CCOCC2)ccc1C(=O)N1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)C[C@@H]1C

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 1/20 0.43
▸ ABL1 P00519 1/20 0.43
▸ BCR P11274 1/20 0.43
▸ KDM4E B2RXH2 3/20 0.41
▸ SLC6A9 P48067 1/20 0.40
▸ GAA P10253 3/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ F13A1 P00488 1/20 0.39
▸ TGM2 P21980 1/20 0.39
▸ TGM1 P22735 1/20 0.39
▸ LMNA P02545 2/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ EIF2AK4 Q9P2K8 2/20 0.39
▸ MAPT P10636 2/20 0.38
▸ L3MBTL1 Q9Y468 2/20 0.38
▸ STAT3 P40763 1/20 0.38
▸ HSD11B1 P28845 1/20 0.38
▸ PKM P14618 1/20 0.37

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
Hydrochloric Acid SCHEMBL1430547 0.99 EPHX2 (0.43) EPHX2ABL1BCRKDM4ESLC6A9
SCHEMBL12965414 0.92 KDM4E (0.49) EPHX2KDM4EGAAALDH1A1F13A1
Hydrochloric Acid SCHEMBL1430220 0.91 KDM4E (0.48) EPHX2KDM4EGAAALDH1A1F13A1
SCHEMBL1429718 0.86 ALDH1A1 (0.45) EPHX2KDM4EGAAALDH1A1LMNA
SCHEMBL12965691 0.85 SMN1; SMN2 (0.44) EPHX2ABL1BCRKDM4ESLC6A9
Hydrochloric Acid SCHEMBL1429800 0.84 SMN1; SMN2 (0.44) EPHX2ABL1BCRKDM4ESLC6A9
SCHEMBL1429742 0.84 ALDH1A1 (0.43) EPHX2ABL1BCRKDM4EGAA
SCHEMBL12965693 0.84 SMN1; SMN2 (0.51) EPHX2ABL1BCRKDM4EGAA
Hydrochloric Acid SCHEMBL1430079 0.83 SMN1; SMN2 (0.50) EPHX2ABL1BCRKDM4EGAA
SCHEMBL12965391 0.82 ALDH1A1 (0.42) EPHX2KDM4EGAAALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8536183-B2 3-pyridylcarbonyl-piperazinylsulfonyl derivatives Convergence Pharmaceuticals Limited (GB) 2013-09-17 — — US disclosed
US-8536183-B2 3-pyridylcarbonyl-piperazinylsulfonyl derivatives Convergence Pharmaceuticals Limited (GB) 2013-09-17 — — US disclosed
US-20120302746-A1 3-PYRIDYLCARBONYL-PIPERAZINYLSULFONYL DERIVATIVES BESWICK PAUL JOHN (GB) 2012-11-29 — — US disclosed
US-20120302746-A1 3-PYRIDYLCARBONYL-PIPERAZINYLSULFONYL DERIVATIVES BESWICK PAUL JOHN (GB) 2012-11-29 — — US disclosed
US-8288388-B2 3-pyridylcarbonyl-piperazinylsulfonyl derivatives Convergence Pharmaceuticals Limited (GB) 2012-10-16 — — US disclosed
US-8288388-B2 3-pyridylcarbonyl-piperazinylsulfonyl derivatives Convergence Pharmaceuticals Limited (GB) 2012-10-16 — — US disclosed
EP-2300432-B1 PIPERAZINE DERIVATIVES USED AS CAV2.2 CALCIUM CHANNEL MODULATORS CONVERGENCE PHARMACEUTICALS (GB) 2012-10-03 — — EP disclosed
US-20100022555-A1 Novel Derivatives Convergence Pharmaceuticals Limited (GB) 2010-01-28 — — US disclosed
US-20100022555-A1 Novel Derivatives Convergence Pharmaceuticals Limited (GB) 2010-01-28 — — US disclosed
WO-2010007073-A1 PIPERAZINE DERIVATIVES USED AS CAV2.2 CALCIUM CHANNEL MODULATORS GLAXO GROUP LIMITED (GB) 2010-01-21 — — 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-20100022555-A1 Novel Derivatives CACNB2, CACNA1B, CACNA1D EPHX2 3915/4885ABL1 2521/4885BCR 2587/4885
US-20120302746-A1 3-PYRIDYLCARBONYL-PIPERAZINYLSULFONYL DERIVATIVES CACNB2, CACNA1C, KCNJ2 EPHX2 4441/4885ABL1 1512/4885BCR 2385/4885

“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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