SCHEMBL12965682

SCHEMBL12965682

CNc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc(C(F)(F)F)cc3)C[C@@H]2C)cn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR6 P51684 3/20 0.45
TRPV4 Q9HBA0 8/20 0.43
CCNK O75909 1/20 0.43
CCNA2 P20248 1/20 0.43
CDK2 P24941 1/20 0.43
CDK12 Q9NYV4 1/20 0.43
HDAC3 O15379 3/20 0.42
HDAC1 Q13547 3/20 0.42
HDAC2 Q92769 3/20 0.42
HDAC6 Q9UBN7 3/20 0.42
HDAC4 P56524 2/20 0.42
HDAC7 Q8WUI4 2/20 0.42
HDAC10 Q969S8 2/20 0.42
HDAC11 Q96DB2 2/20 0.42
HDAC8 Q9BY41 2/20 0.42
HDAC9 Q9UKV0 2/20 0.42
HDAC5 Q9UQL6 2/20 0.42
GAA P10253 1/20 0.42
SMO Q99835 1/20 0.41
EPHX2 P34913 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
Hydrochloric Acid SCHEMBL1429990 0.99 CCR6 (0.44) CCR6TRPV4CCNKCCNA2CDK2
SCHEMBL12965395 0.90 TRPV4 (0.43) CCR6TRPV4CCNKCCNA2CDK2
Hydrochloric Acid SCHEMBL1429680 0.89 TRPV4 (0.43) CCR6TRPV4CCNKCCNA2CDK2
SCHEMBL1429692 0.88 ALDH1A1 (0.45) TRPV4HDAC3HDAC1HDAC2HDAC6
SCHEMBL12965681 0.88 ALDH1A1 (0.45) TRPV4HDAC3HDAC1HDAC2HDAC6
SCHEMBL1429776 0.87 TRPV4 (0.43) TRPV4HDAC3HDAC1HDAC2HDAC6
SCHEMBL12965685 0.86 GAA (0.43) CCR6TRPV4CCNKCCNA2CDK2
Hydrochloric Acid SCHEMBL1430024 0.86 GAA (0.43) CCR6TRPV4CCNKCCNA2CDK2
SCHEMBL1430135 0.85 GPR183 (0.48) CCR6TRPV4HDAC3HDAC1HDAC2
SCHEMBL12965415 0.85 TRPV4 (0.45) TRPV4HDAC3HDAC1HDAC2HDAC6

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 CCR6 3905/4885TRPV4 44/4885CCNK 3012/4885
US-20120302746-A1 3-PYRIDYLCARBONYL-PIPERAZINYLSULFONYL DERIVATIVES CACNB2, CACNA1C, KCNJ2 CCR6 4111/4885TRPV4 69/4885CCNK 1929/4885

“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.