SCHEMBL21100933

SCHEMBL21100933

O=C(CN1CCC(O)C1)OCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LTA4H P09960 1/20 0.48
▸ NPC1 O15118 2/20 0.48
▸ RAB9A P51151 2/20 0.48
▸ ALDH1A1 P00352 3/20 0.48
▸ MAPK1 P28482 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ SMN1; SMN2 Q16637 3/20 0.47
▸ CYP2C19 P33261 2/20 0.45
▸ CYP1A2 P05177 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ OPRK1 P41145 1/20 0.44
▸ MCHR1 Q99705 4/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ CHRM2 P08172 1/20 0.43
▸ CHRM5 P08912 1/20 0.43
▸ CHRM1 P11229 1/20 0.43
▸ CHRM3 P20309 1/20 0.43
▸ CTSL P07711 1/20 0.43

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
SCHEMBL16228724 0.92 NPC1 (0.53) NPC1RAB9AALDH1A1MAPK1L3MBTL1
SCHEMBL19966271 0.88 ALDH1A1 (0.53) NPC1RAB9AALDH1A1MAPK1L3MBTL1
SCHEMBL23027037 0.85 LTA4H (0.48) LTA4HNPC1RAB9AALDH1A1MAPK1
SCHEMBL22280532 0.85 LTA4H (0.48) LTA4HNPC1RAB9AALDH1A1MAPK1
SCHEMBL24943926 0.85 KDM4E (0.50) NPC1RAB9AALDH1A1MAPK1L3MBTL1
SCHEMBL22527363 0.84 CTSL (0.41) NPC1RAB9AALDH1A1MAPK1L3MBTL1
SCHEMBL21100504 0.84 ALDH1A1 (0.43) NPC1RAB9AALDH1A1MAPK1L3MBTL1
SCHEMBL21100503 0.84 ALDH1A1 (0.43) NPC1RAB9AALDH1A1MAPK1L3MBTL1
SCHEMBL19465293 0.84 SMN1; SMN2 (0.46) NPC1RAB9AALDH1A1MAPK1L3MBTL1
SCHEMBL21165288 0.84 ALDH1A1 (0.43) NPC1RAB9AALDH1A1MAPK1L3MBTL1

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
US-20230030115-A1 RHO-ASSOCIATED PROTEIN KINASE INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND PREPARATION METHOD AND USE THEREOF BEIJING TIDE PHARMACEUTICAL CO LTD (CN) 2023-02-02 — — US disclosed
US-11130749-B2 — — 2021-09-28 — — US disclosed
US-20190276440-A1 RHO-ASSOCIATED PROTEIN KINASE INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND PREPARATION METHOD AND USE THEREOF BEIJING TIDE PHARMACEUTICAL CO., LTD. (CN) 2019-09-12 — — US disclosed
US-10329282-B2 Rho-associated protein kinase inhibitor, pharmaceutical composition comprising the same, as well as preparation method and use thereof BEIJING TIDE PHARMACEUTICAL CO., LTD. (CN) 2019-06-25 — — 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 (4 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-20230030115-A1 RHO-ASSOCIATED PROTEIN KINASE INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND PREPARATION METHOD AND USE THEREOF ROCK1, ROCK2, RHOA LTA4H 1707/4885NPC1 1221/4885RAB9A 245/4885
US-11130749-B2 — ROCK1, RHOA, ROCK2 LTA4H 1566/4885NPC1 453/4885RAB9A 192/4885
US-10329282-B2 Rho-associated protein kinase inhibitor, pharmaceutical composition comprising the same, as well as preparation method and use thereof ROCK1, RHOA, ROCK2 LTA4H 1653/4885NPC1 1123/4885RAB9A 284/4885
US-20190276440-A1 RHO-ASSOCIATED PROTEIN KINASE INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND PREPARATION METHOD AND USE THEREOF ROCK1, ROCK2, RHOA LTA4H 1707/4885NPC1 1221/4885RAB9A 245/4885

“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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