SCHEMBL13085702

SCHEMBL13085702

CN1CCC2(CC1)CN(C(=O)OC(C)(C)C)c1ccccc12

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.56
NOTUM Q6P988 2/20 0.53
HDAC1 Q13547 7/20 0.49
HDAC6 Q9UBN7 7/20 0.49
HDAC8 Q9BY41 3/20 0.49
P2RY1 P47900 1/20 0.45
SLC18A3 Q16572 3/20 0.44
AKT1 P31749 1/20 0.43
BCHE P06276 1/20 0.40
USP30 Q70CQ3 1/20 0.40
SIGMAR1 Q99720 2/20 0.39

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
SCHEMBL29384374 1.00 KDM1A (0.56) KDM1ANOTUMHDAC1HDAC6HDAC8
SCHEMBL17807330 0.91 NOTUM (0.64) KDM1ANOTUMHDAC1HDAC6HDAC8
SCHEMBL30413026 0.85 NOTUM (0.53) KDM1ANOTUMHDAC1HDAC6HDAC8
SCHEMBL15676941 0.85 NOTUM (0.53) KDM1ANOTUMHDAC1HDAC6HDAC8
SCHEMBL30898670 0.85 NOTUM (0.53) KDM1ANOTUMHDAC1HDAC6HDAC8
SCHEMBL25350959 0.85 NOTUM (0.53) KDM1ANOTUMHDAC1HDAC6HDAC8
SCHEMBL1222469 0.85 NOTUM (0.53) KDM1ANOTUMHDAC1HDAC6HDAC8
SCHEMBL5578612 0.85 HDAC1 (0.55) KDM1ANOTUMHDAC1HDAC6HDAC8
SCHEMBL25229656 0.85 NOTUM (0.51) KDM1ANOTUMHDAC1HDAC6HDAC8
Hydrochloric Acid SCHEMBL25232027 0.84 NOTUM (0.52) KDM1ANOTUMHDAC1HDAC6HDAC8

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 6 patents. 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
WO-2022032073-A2 TRPML MODULATORS CASMA THERAPEUTICS, INC. (US) 2022-02-10 WO disclosed
US-8729264-B2 Agent for prevention and/or treatment of skin diseases KYOWA HAKKO KIRIN CO., LTD. (JP) 2014-05-20 US disclosed
US-8729264-B2 Agent for prevention and/or treatment of skin diseases KYOWA HAKKO KIRIN CO., LTD. (JP) 2014-05-20 US disclosed
US-20100256134-A1 AGENT FOR PREVENTION AND/OR TREATMENT OF SKIN DISEASES KYOWA HAKKO KIRIN CO., LTD. (JP) 2010-10-07 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 (2 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-20230416262-A1 TRPML MODULATORS TRPM2, TRPM4, TRPM5 KDM1A 3127/4885NOTUM 2050/4885HDAC1 2067/4885
US-20100256134-A1 AGENT FOR PREVENTION AND/OR TREATMENT OF SKIN DISEASES TYR, CUTA, SERPINB1 KDM1A 1362/4885NOTUM 537/4885HDAC1 607/4885

“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.