SCHEMBL12796013

SCHEMBL12796013

CC(C)c1cnc(C(C)C)c(C(C)C)n1

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.31
NOS1 P29475 1/20 0.31
NOS2 P35228 1/20 0.31

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
SCHEMBL12848428 0.81 NOS3 (0.33) NOS3NOS1NOS2
SCHEMBL12848424 0.81 NOS3 (0.33) NOS3NOS1NOS2
SCHEMBL6124109 0.76 PDCD1 (0.38)
SCHEMBL12197666 0.75 CYP1A2 (0.33)
SCHEMBL28059983 0.72 ADORA2A (0.35)
SCHEMBL5950443 0.72 NOS3 (0.33) NOS3NOS1NOS2
SCHEMBL25910823 0.70 NOS3 (0.33) NOS3NOS1NOS2
SCHEMBL6129987 0.70 NOS3 (0.35) NOS3NOS1NOS2
SCHEMBL30585581 0.70 NOS3 (0.35) NOS3NOS1NOS2
SCHEMBL4788899 0.69 ADORA1 (0.41)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11858939-B2 Hetero-halo inhibitors of histone deacetylase ALKERMES, INC. (US) 2024-01-02 US disclosed
US-11807621-B2 Compounds and compositions for use in treating skin disorders KAMARI PHARMA LTD. (IL) 2023-11-07 US disclosed
US-11807621-B2 Compounds and compositions for use in treating skin disorders KAMARI PHARMA LTD. (IL) 2023-11-07 US disclosed
US-20230148184-A1 COMPOUNDS AND METHODS FOR MODULATING SPLICING REMIX THERAPEUTICS INC. 2023-05-11 US disclosed
US-10919902-B2 Hetero-halo inhibitors of histone deacetylase ALKERMES, INC. (US) 2021-02-16 US disclosed
US-20200247814-A1 HETERO-HALO INHIBITORS OF HISTONE DEACETYLASE JPMORGAN CHASE BANK, N.A. AS ADMINISTRATIVE AGENT 2020-08-06 US disclosed
US-20180194769-A1 HETERO-HALO INHIBITORS OF HISTONE DEACETYLASE NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2018-07-12 US disclosed
US-20180169250-A1 COVALENT LINKERS IN ANTIBODY-DRUG CONJUGATES AND METHODS OF MAKING AND USING THE SAME REMEGEN CO., LTD. (CN) 2018-06-21 US disclosed
US-20180055948-A1 Covalent Linkers in Antibody-Drug Conjugates and Methods of Making and Using the Same REMEGEN CO., LTD. (CN) 2018-03-01 US disclosed
US-9884127-B2 Drug-conjugates, conjugation methods, and uses thereof CONCORTIS BIOSYSTEMS, CORP. (US) 2018-02-06 US disclosed
WO-2017007756-A1 HETERO-HALO INHIBITORS OF HISTONE DEACETYLASE RODIN THERAPEUTICS, INC (US) 2017-01-12 WO disclosed
US-20150105540-A1 DRUG-CONJUGATES WITH A TARGETING MOLECULE AND TWO DIFFERENT DRUGS SORRENTO THERAPEUTICS INC. (US) 2015-04-16 US disclosed
US-20150105539-A1 Drug-Conjugates, Conjugation Methods, and Uses Thereof Concortis Biosystems, Corp., a wholly owned Subsidiary of Sorrento Therapeutics, Inc. (US) 2015-04-16 US disclosed
US-20110052643-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2011-03-03 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 (11 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-11858939-B2 Hetero-halo inhibitors of histone deacetylase HDAC2, HDAC1, HDAC6 NOS3 4121/4885NOS1 3843/4885NOS2 3301/4885
US-20180169250-A1 COVALENT LINKERS IN ANTIBODY-DRUG CONJUGATES AND METHODS OF MAKING AND USING THE SAME DHFR, FCGR1A, ADCY4 NOS3 2932/4885NOS1 2794/4885NOS2 2362/4885
US-20180194769-A1 HETERO-HALO INHIBITORS OF HISTONE DEACETYLASE HDAC2, HDAC1, HDAC6 NOS3 4121/4885NOS1 3843/4885NOS2 3301/4885
US-20200247814-A1 HETERO-HALO INHIBITORS OF HISTONE DEACETYLASE HDAC2, HDAC1, HDAC6 NOS3 4121/4885NOS1 3843/4885NOS2 3301/4885
US-10919902-B2 Hetero-halo inhibitors of histone deacetylase HDAC2, HDAC1, HDAC6 NOS3 4121/4885NOS1 3843/4885NOS2 3301/4885
US-20230148184-A1 COMPOUNDS AND METHODS FOR MODULATING SPLICING RBM17, SNRPA, SNRPA1 NOS3 1216/4885NOS1 1941/4885NOS2 1934/4885
US-20180055948-A1 Covalent Linkers in Antibody-Drug Conjugates and Methods of Making and Using the Same DHFR, FCGR1A, ADCY4 NOS3 2932/4885NOS1 2794/4885NOS2 2362/4885
US-20110052643-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES TSLP, NFATC1, IL5 NOS3 248/4885NOS1 335/4885NOS2 211/4885
US-20150105539-A1 Drug-Conjugates, Conjugation Methods, and Uses Thereof PAICS, CES2, DNPEP NOS3 4229/4885NOS1 4278/4885NOS2 3945/4885
US-11807621-B2 Compounds and compositions for use in treating skin disorders RDX, HAX1, F12 NOS3 2156/4885NOS1 2576/4885NOS2 3027/4885
US-20150105540-A1 DRUG-CONJUGATES WITH A TARGETING MOLECULE AND TWO DIFFERENT DRUGS ERBB2, ABCG2, DYNLL2 NOS3 4785/4885NOS1 4803/4885NOS2 4734/4885

“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.