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SCHEMBL308661

SCHEMBL308661

Cc1cc(C#N)ccc1S(=O)(=O)N1CCN[C@@H](C)C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 1/20 0.46
▸ CYP2D6 P10635 1/20 0.46
▸ NFKB1 P19838 1/20 0.46
▸ PRKD3 O94806 1/20 0.46
▸ PRKCG P05129 1/20 0.46
▸ PRKCB P05771 1/20 0.46
▸ PRKCA P17252 1/20 0.46
▸ PRKCH P24723 1/20 0.46
▸ PRKCI P41743 1/20 0.46
▸ PRKCE Q02156 1/20 0.46
▸ PRKCQ Q04759 1/20 0.46
▸ PRKCZ Q05513 1/20 0.46
▸ PRKCD Q05655 1/20 0.46
▸ PRKD1 Q15139 1/20 0.46
▸ TRPV4 Q9HBA0 2/20 0.43
▸ PAX8 Q06710 1/20 0.42
▸ ALDH1A1 P00352 2/20 0.39
▸ XIAP P98170 2/20 0.39
▸ BIRC2 Q13490 2/20 0.39
▸ CYP19A1 P11511 1/20 0.38

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
SCHEMBL2281704 1.00 CYP3A4 (0.46) CYP3A4CYP2D6NFKB1PRKD3PRKCG
SCHEMBL1429944 1.00 CYP3A4 (0.46) CYP3A4CYP2D6NFKB1PRKD3PRKCG
SCHEMBL2225293 0.83 ALDH1A1 (0.57) TRPV4PAX8ALDH1A1SMN1; SMN2LMNA
SCHEMBL2285952 0.80 GAA (0.48) CYP3A4CYP2D6NFKB1PRKD3PRKCG
SCHEMBL2285945 0.80 GAA (0.48) CYP3A4CYP2D6NFKB1PRKD3PRKCG
SCHEMBL308532 0.80 EPHX2 (0.47) CYP3A4CYP2D6NFKB1PRKD3PRKCG
SCHEMBL14132639 0.80 EPHX2 (0.47) CYP3A4CYP2D6NFKB1PRKD3PRKCG
SCHEMBL12966137 0.79 CYP3A4 (0.45) CYP3A4CYP2D6NFKB1PRKD3PRKCG
SCHEMBL17303557 0.79 CYP3A4 (0.57) CYP3A4CYP2D6NFKB1PRKD3PRKCG
SCHEMBL2952926 0.78 HSD11B1 (0.55) TRPV4PAX8CYP19A1SMN1; SMN2LMNA

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 46 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2533782-B1 PIPERAZINE DERIVATIVES FOR BLOCKING Cav2.2 CALCIUM CHANNELS CONVERGENCE PHARMACEUTICALS (GB) 2014-09-24 — — EP disclosed
EP-2533782-B1 PIPERAZINE DERIVATIVES FOR BLOCKING Cav2.2 CALCIUM CHANNELS CONVERGENCE PHARMACEUTICALS (GB) 2014-09-24 — — EP disclosed
US-8697703-B2 Piperazine derivatives for blocking Cav2.2 calcium channels Convergence Pharmaceuticals Limited (GB) 2014-04-15 — — 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-8536183-B2 3-pyridylcarbonyl-piperazinylsulfonyl derivatives Convergence Pharmaceuticals Limited (GB) 2013-09-17 — — US disclosed
US-8530478-B2 Piperazine derivatives used as CAV2.2 calcium channel modulators Convergence Pharmaceuticals Limited (GB) 2013-09-10 — — US disclosed
US-8530478-B2 Piperazine derivatives used as CAV2.2 calcium channel modulators Convergence Pharmaceuticals Limited (GB) 2013-09-10 — — US disclosed
US-8530478-B2 Piperazine derivatives used as CAV2.2 calcium channel modulators Convergence Pharmaceuticals Limited (GB) 2013-09-10 — — US disclosed
US-20130072499-A1 PIPERAZINE DERIVATIVES FOR BLOCKING Cav2.2 CALCIUM CHANNELS Convergence Pharmaceuticals Limited 2013-03-21 — — 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
US-20100016330-A1 Novel Derivatives Convergence Pharmaceuticals Limited (GB) 2010-01-21 — — US disclosed
US-20100016330-A1 Novel Derivatives Convergence Pharmaceuticals Limited (GB) 2010-01-21 — — US disclosed
US-20100016330-A1 Novel Derivatives Convergence Pharmaceuticals Limited (GB) 2010-01-21 — — US disclosed
WO-2010007072-A1 PIPERAZINE DERIVATIVES USED AS CAV2.2 CALCIUM CHANNEL MODULATORS GLAXO GROUP LIMITED (GB) 2010-01-21 — — WO disclosed
WO-2010007072-A1 PIPERAZINE DERIVATIVES USED AS CAV2.2 CALCIUM CHANNEL MODULATORS GLAXO GROUP LIMITED (GB) 2010-01-21 — — WO disclosed
WO-2010007074-A1 PYRAZOLO [1, 5-A] PYRIMIDINE DERIVATIVES GLAXO GROUP LIMITED (GB) 2010-01-21 — — WO disclosed
WO-2010007074-A1 PYRAZOLO [1, 5-A] PYRIMIDINE DERIVATIVES 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 (3 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-20100016330-A1 Novel Derivatives CACNB2, CACNA1B, CACNA1D CYP3A4 3167/4885CYP2D6 3736/4885NFKB1 942/4885
US-20130072499-A1 PIPERAZINE DERIVATIVES FOR BLOCKING Cav2.2 CALCIUM CHANNELS CACNA1B, CACNB2, CACNA1C CYP3A4 3890/4885CYP2D6 4088/4885NFKB1 1131/4885
US-20100022555-A1 Novel Derivatives CACNB2, CACNA1B, CACNA1D CYP3A4 3167/4885CYP2D6 3736/4885NFKB1 942/4885

“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.