SCHEMBL16742870

SCHEMBL16742870

O=S(=O)(Nc1cc[c]c(Cl)n1)C1CC1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CTPS1 P17812 11/20 0.44
▸ SCN9A Q15858 1/20 0.40
▸ ABL1 P00519 1/20 0.39
▸ MAP4K1 Q92918 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ BRPF1 P55201 1/20 0.35
▸ MAP2K4 P45985 1/20 0.34
▸ PIK3C3 Q8NEB9 1/20 0.34
▸ PTGS1 P23219 1/20 0.33
▸ PTGS2 P35354 1/20 0.33
▸ SGK1 O00141 1/20 0.33

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
SCHEMBL16741080 0.77 SCN9A (0.38) SCN9AABL1
SCHEMBL16742677 0.74 HPGD (0.36) CTPS1BRPF1PTGS1PTGS2
SCHEMBL18066256 0.74 PIK3C3 (0.32) TDP1PIK3C3
SCHEMBL21381576 0.73 CTPS1 (0.43) CTPS1SCN9AABL1MAP4K1TDP1
SCHEMBL16742629 0.73 BRPF1 (0.42) CTPS1BRPF1MAP2K4SGK1
SCHEMBL18065939 0.73 TSHR (0.45) PIK3C3
SCHEMBL17803526 0.69 CTPS1 (0.42) CTPS1SCN9AABL1TDP1BRPF1
SCHEMBL24369034 0.68 SCN9A (0.50) CTPS1SCN9ATDP1PTGS1PTGS2
SCHEMBL16827647 0.68 SCN9A (0.50) CTPS1SCN9ATDP1PTGS1PTGS2
SCHEMBL18802292 0.68 ALDH1A1 (0.55) CTPS1SCN9A

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
EP-3071578-B1 TRICYCLIC PIPERIDINE COMPOUNDS ACTELION PHARMACEUTICALS LTD (CH) 2018-01-10 — — EP claimed
US-9765092-B2 Tricyclic piperidine compounds ACTELION PHARMACEUTICALS LTD (CH) 2017-09-19 — — US claimed
EP-3071578-A1 TRICYCLIC PIPERIDINE COMPOUNDS Actelion Pharmaceuticals Ltd (CH) 2016-09-28 — — EP claimed
US-20160272655-A1 TRICYCLIC PIPERIDINE COMPOUNDS ACTELION PHARMACEUTICALS LTD (CH) 2016-09-22 — — US claimed
WO-2015075023-A1 TRICYCLIC PIPERIDINE COMPOUNDS ACTELION PHARMACEUTICALS LTD (CH) 2015-05-28 — — WO claimed
EP-3071578-B1 TRICYCLIC PIPERIDINE COMPOUNDS ACTELION PHARMACEUTICALS LTD (CH) 2018-01-10 — — EP disclosed
US-9765092-B2 Tricyclic piperidine compounds ACTELION PHARMACEUTICALS LTD (CH) 2017-09-19 — — US disclosed
EP-3071578-A1 TRICYCLIC PIPERIDINE COMPOUNDS Actelion Pharmaceuticals Ltd (CH) 2016-09-28 — — EP disclosed
US-20160272655-A1 TRICYCLIC PIPERIDINE COMPOUNDS ACTELION PHARMACEUTICALS LTD (CH) 2016-09-22 — — US disclosed
WO-2015075023-A1 TRICYCLIC PIPERIDINE COMPOUNDS ACTELION PHARMACEUTICALS LTD (CH) 2015-05-28 — — 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 (1 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-20160272655-A1 TRICYCLIC PIPERIDINE COMPOUNDS TPH1, HTR1B, HTR1A CTPS1 655/4885SCN9A 2465/4885ABL1 2911/4885

“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.

Send feedback