SCHEMBL1429776

SCHEMBL1429776

C[C@H]1CN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)CCN1C(=O)c1ccc(Cl)nc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPV4 Q9HBA0 3/20 0.43
▸ ABL1 P00519 1/20 0.43
▸ BCR P11274 1/20 0.43
▸ CHRM1 P11229 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ HDAC3 O15379 2/20 0.41
▸ HDAC4 P56524 2/20 0.41
▸ HDAC1 Q13547 2/20 0.41
▸ HDAC7 Q8WUI4 2/20 0.41
▸ HDAC2 Q92769 2/20 0.41
▸ HDAC10 Q969S8 2/20 0.41
▸ HDAC11 Q96DB2 2/20 0.41
▸ HDAC8 Q9BY41 2/20 0.41
▸ HDAC6 Q9UBN7 2/20 0.41
▸ HDAC9 Q9UKV0 2/20 0.41
▸ HDAC5 Q9UQL6 2/20 0.41
▸ GRM4 Q14833 1/20 0.41
▸ SFRP1 Q8N474 1/20 0.41
▸ KCNQ3 O43525 1/20 0.41
▸ KCNQ2 O43526 1/20 0.41

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
SCHEMBL12965681 0.89 ALDH1A1 (0.45) TRPV4ALDH1A1HDAC3HDAC4HDAC1
SCHEMBL1429692 0.89 ALDH1A1 (0.45) TRPV4ALDH1A1HDAC3HDAC4HDAC1
SCHEMBL1430135 0.87 GPR183 (0.48) TRPV4ALDH1A1HDAC3HDAC4HDAC1
SCHEMBL12965682 0.87 CCR6 (0.45) TRPV4HDAC3HDAC4HDAC1HDAC7
SCHEMBL12965415 0.87 TRPV4 (0.45) TRPV4ALDH1A1HDAC3HDAC4HDAC1
Hydrochloric Acid SCHEMBL2834229 0.86 TRPV4 (0.44) TRPV4ALDH1A1HDAC3HDAC4HDAC1
Hydrochloric Acid SCHEMBL1429990 0.86 CCR6 (0.44) TRPV4HDAC3HDAC4HDAC1HDAC7
SCHEMBL1429911 0.86 CCR6 (0.44) TRPV4ALDH1A1HDAC3HDAC4HDAC1
Formic Acid SCHEMBL1429563 0.86 ALDH1A1 (0.42) TRPV4ALDH1A1HDAC3HDAC4HDAC1
Hydrochloric Acid SCHEMBL1430123 0.85 KDM4E (0.59) TRPV4ALDH1A1HDAC3HDAC4HDAC1

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 TRPV4 44/4885ABL1 2521/4885BCR 2587/4885
US-20120302746-A1 3-PYRIDYLCARBONYL-PIPERAZINYLSULFONYL DERIVATIVES CACNB2, CACNA1C, KCNJ2 TRPV4 69/4885ABL1 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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