SCHEMBL4503756

SCHEMBL4503756

N[C@@H]1CCN(c2nc(C(F)(F)F)cs2)C1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LCAT P04180 2/20 0.42
▸ HRH4 Q9H3N8 7/20 0.41
▸ CYP2C19 P33261 2/20 0.40
▸ PIK3CA P42336 1/20 0.40
▸ LMNA P02545 1/20 0.39
▸ OGA O60502 1/20 0.39
▸ CTSB P07858 1/20 0.39
▸ CTSS P25774 1/20 0.39
▸ CTSK P43235 1/20 0.39
▸ KCNH2 Q12809 1/20 0.39
▸ PRKCI P41743 1/20 0.38
▸ SCD O00767 1/20 0.36
▸ L3MBTL1 Q9Y468 2/20 0.36
▸ AR P10275 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL4503759 1.00 LCAT (0.42) LCATHRH4CYP2C19PIK3CALMNA
SCHEMBL4496451 0.91 LCAT (0.46) LCATLMNAOGACTSBCTSS
SCHEMBL21624799 0.85 LMNA (0.56) HRH4LMNAOGACTSBCTSS
SCHEMBL21624797 0.85 LMNA (0.56) HRH4LMNAOGACTSBCTSS
SCHEMBL22657461 0.82 LCAT (0.42) LCATCYP2C19LMNAOGACTSB
SCHEMBL22657529 0.82 LCAT (0.42) LCATCYP2C19LMNAOGACTSB
SCHEMBL22657494 0.77 CTSB (0.39) LCATCYP2C19LMNAOGACTSB
SCHEMBL28710043 0.77 CTSB (0.39) LCATCYP2C19LMNAOGACTSB
SCHEMBL21624782 0.77 SCD (0.47) LCATCTSBCTSSCTSKKCNH2
SCHEMBL21624783 0.77 SCD (0.47) LCATCTSBCTSSCTSKKCNH2

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220363667-A1 T-TYPE CALCIUM CHANNEL BLOCKER NIPPON CHEMIPHAR CO., LTD. (JP) 2022-11-17 — — US disclosed
US-20220226299-A1 USE OF T-TYPE CALCIUM CHANNEL BLOCKER FOR TREATING PRURITUS NIPPON CHEMIPHAR CO., LTD. (JP) 2022-07-21 — — US disclosed
EP-3950059-A1 USE OF T-TYPE CALCIUM CHANNEL BLOCKER FOR TREATING PRURITUS Nippon Chemiphar Co., Ltd. (JP) 2022-02-09 — — EP disclosed
EP-3825303-A1 T-TYPE CALCIUM CHANNEL BLOCKER Nippon Chemiphar Co., Ltd. (JP) 2021-05-26 — — EP disclosed
WO-2020203610-A1 USE OF T-TYPE CALCIUM CHANNEL BLOCKER FOR TREATING RHEUMATOID ARTHRITIS 日本ケミファ株式会社 2020-10-08 — — WO disclosed
WO-2020203609-A1 USE OF T-TYPE CALCIUM CHANNEL BLOCKER FOR TREATING PRURITUS 日本ケミファ株式会社 2020-10-08 — — WO disclosed
US-7528151-B2 Heterocyclic urea derivatives for the treatment of pain GLAXO GROUP LIMITED (GB) 2009-05-05 — — US disclosed
US-20070117820-A1 Heterocyclic urea derivatives for the treatment of pain KYOWA HAKKO KOGYO CO., LTD. (JP) 2007-05-24 — — US 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-20070117820-A1 Heterocyclic urea derivatives for the treatment of pain U2SURP, UMPS, SFPQ LCAT 3388/4885HRH4 92/4885CYP2C19 455/4885
US-20220363667-A1 T-TYPE CALCIUM CHANNEL BLOCKER CACNA1I, CACNA1G, CACNA1H LCAT 4466/4885HRH4 538/4885CYP2C19 2504/4885
US-20220226299-A1 USE OF T-TYPE CALCIUM CHANNEL BLOCKER FOR TREATING PRURITUS TRPV3, CACNA1G, TRPV2 LCAT 666/4885HRH4 149/4885CYP2C19 2994/4885

“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