SCHEMBL26185604

SCHEMBL26185604

O=C(NC1CC2(C1)CC(c1nc3cc(Cl)ccc3s1)C2)C1CS(=O)(=O)C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ CNR2 P34972 3/20 0.38
▸ CASP3 P42574 1/20 0.36
▸ SENP8 Q96LD8 1/20 0.36
▸ SENP7 Q9BQF6 1/20 0.36
▸ SENP6 Q9GZR1 1/20 0.36
▸ ROCK2 O75116 2/20 0.36
▸ ALOX5 P09917 2/20 0.35
▸ HDAC6 Q9UBN7 1/20 0.35
▸ PTGES O14684 4/20 0.35
▸ PTGS2 P35354 1/20 0.35
▸ CNR1 P21554 1/20 0.35
▸ LMNA P02545 2/20 0.35
▸ CYP2D6 P10635 1/20 0.34
▸ CYP2B6 P20813 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ IDO1 P14902 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL29700519 1.00 NPC1 (0.43) NPC1RAB9ACNR2CASP3SENP8
SCHEMBL29700425 0.93 NPC1 (0.43) NPC1RAB9ACNR2CASP3SENP8
SCHEMBL26185602 0.93 NPC1 (0.43) NPC1RAB9ACNR2CASP3SENP8
SCHEMBL26567751 0.88 DYRK1A (0.38) NPC1RAB9AROCK2LMNAMAPK1
SCHEMBL24478818 0.87 NPC1 (0.51) NPC1RAB9ACNR2CASP3SENP8
SCHEMBL29700405 0.86 NPC1 (0.41) NPC1RAB9ACNR2CASP3SENP8
SCHEMBL26185598 0.86 NPC1 (0.41) NPC1RAB9ACNR2CASP3SENP8
SCHEMBL26185589 0.85 CASP3 (0.44) NPC1RAB9ACNR2CASP3SENP8
SCHEMBL29700396 0.82 NPC1 (0.44) NPC1RAB9ACNR2CASP3SENP8
SCHEMBL26185581 0.82 NPC1 (0.44) NPC1RAB9ACNR2CASP3SENP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4251615-B1 SPIRO[3.3]HEPTANE DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HOFFMANN LA ROCHE (CH) 2025-10-15 — — EP claimed
US-20230331715-A1 SPIRO[3.3]HEPTANE DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HOFFMANN-LA ROCHE INC. (US) 2023-10-19 — — US claimed
EP-4251615-B1 SPIRO[3.3]HEPTANE DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HOFFMANN LA ROCHE (CH) 2025-10-15 — — EP disclosed
US-20230331715-A1 SPIRO[3.3]HEPTANE DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HOFFMANN-LA ROCHE INC. (US) 2023-10-19 — — US disclosed
US-20230331715-A1 SPIRO[3.3]HEPTANE DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HOFFMANN-LA ROCHE INC. (US) 2023-10-19 — — 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 (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-20230331715-A1 SPIRO[3.3]HEPTANE DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HAVCR2, NR1I3, NR1H4 NPC1 209/4885RAB9A 1824/4885CNR2 2613/4885

“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