SCHEMBL855234

SCHEMBL855234

CC(C)(C)N1CCN(Cc2ccccc2)CC1

nearest known ligand 0.69

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 9/20 0.69
MC4R P32245 1/20 0.63
LMNA P02545 2/20 0.61
POLB P06746 1/20 0.61
DRD4 P21917 1/20 0.56
KMT2A Q03164 2/20 0.56
ACHE P22303 1/20 0.55
ALDH1A1 P00352 2/20 0.51
CCR3 P51677 1/20 0.51
KDM4E B2RXH2 1/20 0.51
ATM Q13315 1/20 0.51

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
Hydrochloric Acid SCHEMBL4074661 0.98 SIGMAR1 (0.67) SIGMAR1MC4RLMNAPOLBDRD4
SCHEMBL13007670 0.93 SIGMAR1 (0.60) SIGMAR1MC4RLMNAPOLBDRD4
SCHEMBL2791000 0.86 CCR3 (0.56) SIGMAR1MC4RDRD4ACHEALDH1A1
SCHEMBL10554161 0.85 SIGMAR1 (0.69) SIGMAR1MC4RLMNAPOLBDRD4
SCHEMBL2629504 0.84 ALDH1A1 (0.62) SIGMAR1MC4RPOLBKMT2AALDH1A1
SCHEMBL4064927 0.84 SMN1; SMN2 (0.63) DRD4KMT2AACHEALDH1A1CCR3
SCHEMBL12848464 0.84 SIGMAR1 (0.62) SIGMAR1MC4RLMNAPOLBDRD4
SCHEMBL19231601 0.84 SIGMAR1 (0.66) SIGMAR1MC4RLMNAPOLBDRD4
SCHEMBL6422796 0.84 SIGMAR1 (0.62) SIGMAR1MC4RLMNAPOLBDRD4
SCHEMBL1415730 0.83 SIGMAR1 (1.00) SIGMAR1MC4RLMNAPOLBDRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0743574-B1 Migration imaging members XEROX CORP (US) 2000-12-27 EP claimed
US-12577412-B2 Corrosion inhibiting coating compositions PRC-DESOTO INTERNATIONAL, INC. (US) 2026-03-17 US disclosed
US-20240174867-A1 CORROSION INHIBITING COATING COMPOSITIONS PRC-DESOTO INTERNATIONAL, INC. (US) 2024-05-30 US disclosed
US-11827641-B2 Toll-like receptor antagonist compounds and methods of use DYNAVAX TECHNOLOGIES CORPORATION (US) 2023-11-28 US disclosed
US-11827641-B2 Toll-like receptor antagonist compounds and methods of use DYNAVAX TECHNOLOGIES CORPORATION (US) 2023-11-28 US disclosed
US-11771697-B2 Small molecule degraders of polybromo-1 (PBRM1) DANA-FARBER CANCER INSTITUTE, INC. (US) 2023-10-03 US disclosed
US-11648254-B2 Substituted pyrido[2,3-d]pyrimidines as inhibitors of Ras pathway signaling KUMQUAT BIOSCIENCES INC. (US) 2023-05-16 US disclosed
US-20230041761-A1 SMALL MOLECULE MODULATORS OF SIGMA-1 AND SIGMA-2 RECEPTORS AND USES THEREOF NORTHWESTERN UNIVERSITY 2023-02-09 US disclosed
US-11498926-B2 Tricyclic heterocycles as BET protein inhibitors INCYTE CORPORATION (US) 2022-11-15 US disclosed
US-20220220069-A1 COMPOUND USED AS SIRT6 SMALL-MOLECULE ALLOSTERIC ACTIVATOR AND PHARMACEUTICAL COMPOSITION THEREOF SHANGHAI JIAOTONG UNIVERSITY SCHOOL OF MEDICINE (CN) 2022-07-14 US disclosed
CN-101128427-A Heterocyclic compounds as ccr2b antagonists ASTRAZENECA AB (SE) 2008-02-20 CN disclosed
US-7326703-B2 (1,10B-Dihydro-2-(aminocarbonyl-phenyl)-5H-pyrazolo[1,5-c][1,3]benzoxazin-5-yl)phenyl methanone derivatives as HIV viral replication inhibitors TIBOTEC PHARMACEUTICALS LTD (IL) 2008-02-05 US disclosed
US-20070248624-A1 (1,10B-Dihydro-2-(Aminocarbonyl-Phenyl)-5h-Pyrazolo[1,5-C][1,3]Benzoxazin-5-Yl)Phenyl Methanone Derivatives as Hiv Viral Replication Inhibitors JANSSEN SCIENCES IRELAND UC (IE) 2007-10-25 US disclosed
US-7282608-B2 Inhibitors of histone deacetylase METHYLGENE, INC. (CA) 2007-10-16 US disclosed
US-7262186-B2 Substituted pyrazolo[3,4-d] pyrimidinones as a mitotic kinesin inhibitor MERCK & CO., INC. (US) 2007-08-28 US disclosed
US-7262187-B2 Substituted oxazolo- and thizaolopyrimidinones as a mitotic kinesin inhibitor MERCK & CO., INC. (US) 2007-08-28 US disclosed
US-7244723-B2 Substituted furopyrimidinones as a mitotic kinesin inhibitors MERCK & CO., INC. (US) 2007-07-17 US disclosed
US-20070105834-A1 TETRAHYDROISOQUINOLINE SULFONAMIDE DERIVATIVES, THE PREPARATION THEREOF, AND THE USE OF THE SAME IN THERAPEUTICS SANOFI-AVENTIS (FR) 2007-05-10 US disclosed
US-7192949-B2 Substituted bicyclic pyrimidinones as a mitotic kinesin KSP inhibitors MERCK & CO., INC. (US) 2007-03-20 US disclosed
US-3962248-A PROCESS FOR MAKING 11-PIPERAZINO-DIAZEPINES, OXAZEPINES, THIAZEPINES AND AZEPINES SANDOZ, INC. (US) 1976-06-08 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 (9 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-20220220069-A1 COMPOUND USED AS SIRT6 SMALL-MOLECULE ALLOSTERIC ACTIVATOR AND PHARMACEUTICAL COMPOSITION THEREOF SIRT6, SIRT1, SIRT7 SIGMAR1 3576/4885MC4R 445/4885LMNA 4380/4885
US-11648254-B2 Substituted pyrido[2,3-d]pyrimidines as inhibitors of Ras pathway signaling KRAS, NRAS, BRAF SIGMAR1 4382/4885MC4R 4672/4885LMNA 3799/4885
US-20070105834-A1 TETRAHYDROISOQUINOLINE SULFONAMIDE DERIVATIVES, THE PREPARATION THEREOF, AND THE USE OF THE SAME IN THERAPEUTICS BACE1, SLC6A2, KCNQ2 SIGMAR1 2514/4885MC4R 1720/4885LMNA 3482/4885
US-11827641-B2 Toll-like receptor antagonist compounds and methods of use TLR7, TLR9, TLR1 SIGMAR1 376/4885MC4R 311/4885LMNA 2494/4885
US-11771697-B2 Small molecule degraders of polybromo-1 (PBRM1) PBRM1, SMARCC1, SMARCC2 SIGMAR1 2181/4885MC4R 3069/4885LMNA 1431/4885
US-20070248624-A1 (1,10B-Dihydro-2-(Aminocarbonyl-Phenyl)-5h-Pyrazolo[1,5-C][1,3]Benzoxazin-5-Yl)Phenyl Methanone Derivatives as Hiv Viral Replication Inhibitors POLRMT, MAVS, DHX15 SIGMAR1 2916/4885MC4R 4078/4885LMNA 939/4885
US-11498926-B2 Tricyclic heterocycles as BET protein inhibitors BRD1, BRD3, BRD2 SIGMAR1 4435/4885MC4R 1749/4885LMNA 3201/4885
US-20230041761-A1 SMALL MOLECULE MODULATORS OF SIGMA-1 AND SIGMA-2 RECEPTORS AND USES THEREOF SIGMAR1, TMEM97, OPRM1 SIGMAR1 1/4885MC4R 1075/4885LMNA 4760/4885
US-12577412-B2 Corrosion inhibiting coating compositions MGMT, MBD2, MECP2 SIGMAR1 127/4885MC4R 422/4885LMNA 4468/4885

“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.