SCHEMBL1430013

SCHEMBL1430013

Cc1cc(N2CCC2)ncc1C(=O)N1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)C[C@@H]1C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.52
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ ALDH1A1 P00352 3/20 0.47
▸ LMNA P02545 3/20 0.47
▸ PKM P14618 2/20 0.47
▸ F13A1 P00488 1/20 0.43
▸ TGM2 P21980 1/20 0.43
▸ TGM1 P22735 1/20 0.43
▸ MAPT P10636 2/20 0.43
▸ GAA P10253 2/20 0.43
▸ HTT P42858 2/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ HDAC3 O15379 2/20 0.40
▸ HDAC4 P56524 2/20 0.40
▸ HDAC1 Q13547 2/20 0.40
▸ HDAC7 Q8WUI4 2/20 0.40
▸ HDAC2 Q92769 2/20 0.40
▸ HDAC10 Q969S8 2/20 0.40
▸ HDAC11 Q96DB2 2/20 0.40
▸ HDAC8 Q9BY41 2/20 0.40

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
SCHEMBL12965691 0.93 SMN1; SMN2 (0.44) KDM4EL3MBTL1ALDH1A1LMNAPKM
Hydrochloric Acid SCHEMBL1429800 0.92 SMN1; SMN2 (0.44) KDM4EL3MBTL1ALDH1A1LMNAPKM
SCHEMBL1429768 0.88 GAA (0.45) KDM4EL3MBTL1ALDH1A1LMNAPKM
Hydrochloric Acid SCHEMBL1430123 0.86 KDM4E (0.59) KDM4EL3MBTL1ALDH1A1LMNAPKM
SCHEMBL12966139 0.85 GAA (0.46) KDM4EALDH1A1LMNAPKMMAPT
SCHEMBL12965685 0.85 GAA (0.43) KDM4EL3MBTL1ALDH1A1LMNAPKM
Hydrochloric Acid SCHEMBL2835470 0.84 GAA (0.45) KDM4EALDH1A1LMNAPKMMAPT
Hydrochloric Acid SCHEMBL1430024 0.84 GAA (0.43) KDM4EL3MBTL1ALDH1A1LMNAPKM
SCHEMBL12965414 0.84 KDM4E (0.49) KDM4EL3MBTL1ALDH1A1LMNAPKM
SCHEMBL27810219 0.84 KDM4E (0.37) KDM4EL3MBTL1LMNAPKMF13A1

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 16 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-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-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
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
EP-2300432-A1 PIPERAZINE DERIVATIVES USED AS CAV2.2 CALCIUM CHANNEL MODULATORS Convergence Pharmaceuticals Limited (GB) 2011-03-30 — — 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
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
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 KDM4E 3426/4885L3MBTL1 4734/4885ALDH1A1 3984/4885
US-20120302746-A1 3-PYRIDYLCARBONYL-PIPERAZINYLSULFONYL DERIVATIVES CACNB2, CACNA1C, KCNJ2 KDM4E 2248/4885L3MBTL1 4373/4885ALDH1A1 3994/4885

“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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