SCHEMBL26185563

SCHEMBL26185563

O=C(CC1CNCCS1(=O)=O)NC1CC2(C1)CC(c1nc3cc(Cl)ccc3s1)C2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ LMNA P02545 2/20 0.34
▸ POLB P06746 4/20 0.33
▸ HDAC6 Q9UBN7 1/20 0.32
▸ CNR2 P34972 1/20 0.32
▸ IRAK4 Q9NWZ3 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ SENP7 Q9BQF6 2/20 0.31
▸ CASP3 P42574 1/20 0.31
▸ SENP8 Q96LD8 1/20 0.31
▸ SENP6 Q9GZR1 1/20 0.31
▸ MAPT P10636 3/20 0.31
▸ HTT P42858 1/20 0.31
▸ ALOX5 P09917 1/20 0.31
▸ ALDH1A1 P00352 2/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ TP53 P04637 1/20 0.30
▸ BACE1 P56817 1/20 0.30

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
SCHEMBL29700429 0.88 NPC1 (0.41) NPC1RAB9ALMNAPOLBHDAC6
SCHEMBL26185570 0.88 NPC1 (0.41) NPC1RAB9ALMNAPOLBHDAC6
SCHEMBL26185598 0.82 NPC1 (0.41) NPC1RAB9ALMNAPOLBHDAC6
SCHEMBL29700405 0.82 NPC1 (0.41) NPC1RAB9ALMNAPOLBHDAC6
SCHEMBL29700392 0.79 NPC1 (0.40) NPC1RAB9ALMNAPOLBHDAC6
SCHEMBL26185597 0.79 NPC1 (0.40) NPC1RAB9ALMNAPOLBHDAC6
SCHEMBL26567777 0.78 DYRK1A (0.35) LMNAMAPTALDH1A1KMT2ATP53
SCHEMBL24479060 0.77 NPC1 (0.47) NPC1RAB9ALMNAPOLBHDAC6
SCHEMBL29700417 0.77 NPC1 (0.43) NPC1RAB9ALMNAPOLBHDAC6
SCHEMBL26185573 0.77 NPC1 (0.43) NPC1RAB9ALMNAPOLBHDAC6

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 4 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

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 1824/4885LMNA 1803/4885

“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.

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