SCHEMBL1222469

SCHEMBL1222469

CC(C)(C)OC(=O)N1CC2(CCNCC2)c2ccccc21

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 3/20 0.53
KDM1A O60341 1/20 0.53
HDAC1 Q13547 3/20 0.47
HDAC6 Q9UBN7 3/20 0.47
HDAC8 Q9BY41 2/20 0.47
ROCK2 O75116 1/20 0.45
ROCK1 Q13464 1/20 0.45
P2RY1 P47900 1/20 0.43
AKT1 P31749 3/20 0.43
BCHE P06276 1/20 0.40
MAPK1 P28482 1/20 0.38

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
SCHEMBL30413026 1.00 NOTUM (0.53) NOTUMKDM1AHDAC1HDAC6HDAC8
Hydrochloric Acid SCHEMBL25232027 0.99 NOTUM (0.52) NOTUMKDM1AHDAC1HDAC6HDAC8
SCHEMBL17807330 0.91 NOTUM (0.64) NOTUMKDM1AHDAC1HDAC6HDAC8
SCHEMBL28928097 0.91 NOTUM (0.49) NOTUMKDM1AHDAC1HDAC6HDAC8
SCHEMBL3363958 0.86 NOTUM (0.50) NOTUMKDM1AHDAC1HDAC6HDAC8
SCHEMBL14529913 0.86 NOTUM (0.57) NOTUMHDAC1HDAC6HDAC8ROCK2
SCHEMBL30898670 0.85 NOTUM (0.53) NOTUMKDM1AHDAC1HDAC6HDAC8
SCHEMBL13085702 0.85 KDM1A (0.56) NOTUMKDM1AHDAC1HDAC6HDAC8
SCHEMBL29384374 0.85 KDM1A (0.56) NOTUMKDM1AHDAC1HDAC6HDAC8
SCHEMBL25350959 0.85 NOTUM (0.53) NOTUMKDM1AHDAC1HDAC6HDAC8

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 42 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230416262-A1 TRPML MODULATORS CASMA THERAPEUTICS, INC. 2023-12-28 US disclosed
EP-4192957-A2 TRPML MODULATORS Casma Therapeutics, Inc. (US) 2023-06-14 EP disclosed
CN-116113698-A TRPML modulators 卡斯玛治疗公司 2023-05-12 CN disclosed
WO-2022032073-A2 TRPML MODULATORS CASMA THERAPEUTICS, INC. (US) 2022-02-10 WO disclosed
EP-2206714-B1 AGENT FOR PREVENTION AND/OR TREATMENT OF SKIN DISEASES KYOWA HAKKO KIRIN CO LTD (JP) 2015-01-21 EP disclosed
US-8927715-B2 Inhibitors of 11β-hydroxysteroid dehydrogenase type 1 VITAE PHARMACEUTICALS, INC. (US) 2015-01-06 US disclosed
US-8927715-B2 Inhibitors of 11β-hydroxysteroid dehydrogenase type 1 VITAE PHARMACEUTICALS, INC. (US) 2015-01-06 US disclosed
US-8927715-B2 Inhibitors of 11β-hydroxysteroid dehydrogenase type 1 VITAE PHARMACEUTICALS, INC. (US) 2015-01-06 US disclosed
US-20140349989-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF ALZHEIMER'S INSTITUTE OF AMERICA (US) 2014-11-27 US disclosed
US-20140349989-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF ALZHEIMER'S INSTITUTE OF AMERICA (US) 2014-11-27 US disclosed
US-20080280933-A1 BENZIMIDAZOLYL COMPOUNDS EFREMOV IVAN 2008-11-13 US disclosed
WO-2008024497-A2 INHIBITORS OF 11β -HYDROXYSTEROID DEHYDROGENASE TYPE 1 VITAE PHARMACEUTICALS, INC. (US) 2008-02-28 WO disclosed
WO-2008024497-A2 INHIBITORS OF 11β -HYDROXYSTEROID DEHYDROGENASE TYPE 1 VITAE PHARMACEUTICALS, INC. (US) 2008-02-28 WO disclosed
WO-2008012623-A1 BENZIMIDAZOLYL COMPOUNDS AS POTENTIATORS OF MGLUR2 SUBTYPE OF GLUTAMATE RECEPTOR PFIZER PRODUCTS INC. (US) 2008-01-31 WO disclosed
WO-2008012622-A2 AZABENZIMIDAZOLYL COMPOUNDS AS POTENTIATORS OF MGLUR2 SUBTYPE OF GLUTAMATE RECEPTOR PFIZER PRODUCTS INC. (US) 2008-01-31 WO disclosed
US-20070254904-A1 Substituted Diaza-Spiro-[4.5]-Decane Derivatives and Their Use as Neurokinin Antagonists JANSSEN PHARMACEUTICA N.V. (BE) 2007-11-01 US disclosed
US-20070254904-A1 Substituted Diaza-Spiro-[4.5]-Decane Derivatives and Their Use as Neurokinin Antagonists JANSSEN PHARMACEUTICA N.V. (BE) 2007-11-01 US disclosed
US-20070254903-A1 Novel Spiroindoline or Spiroisoquinoline Compounds, Methods of Use and Compositions Thereof ARENA PHARMACEUTICALS, INC. (US) 2007-11-01 US disclosed
WO-2007057775-A1 SPIROPIPERIDINE DERIVATIVES PFIZER LIMITED (GB) 2007-05-24 WO disclosed
US-20070078152-A1 Piperidine derivatives AMGEN INC. 2007-04-05 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 (6 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-20070254903-A1 Novel Spiroindoline or Spiroisoquinoline Compounds, Methods of Use and Compositions Thereof REN, AVPR2, RECQL NOTUM 3318/4885KDM1A 2295/4885HDAC1 885/4885
US-20080280933-A1 BENZIMIDAZOLYL COMPOUNDS PAICS, TMBIM6, ABCG2 NOTUM 791/4885KDM1A 3628/4885HDAC1 608/4885
US-20140349989-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF NFATC1, CD4, CD47 NOTUM 2120/4885KDM1A 2618/4885HDAC1 500/4885
US-20070078152-A1 Piperidine derivatives VIPR2, VIPR1, GRPR NOTUM 1155/4885KDM1A 4260/4885HDAC1 651/4885
US-20230416262-A1 TRPML MODULATORS TRPM2, TRPM4, TRPM5 NOTUM 2050/4885KDM1A 3127/4885HDAC1 2067/4885
US-20070254904-A1 Substituted Diaza-Spiro-[4.5]-Decane Derivatives and Their Use as Neurokinin Antagonists NPSR1, PROKR2, PROKR1 NOTUM 2524/4885KDM1A 2966/4885HDAC1 668/4885

“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.