SCHEMBL16625960

SCHEMBL16625960

CC(C)CCN1CC(F)(F)C1

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.33
NOS1 P29475 1/20 0.33
NOS2 P35228 1/20 0.33
SORT1 Q99523 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
SCHEMBL12985789 0.82 SLC6A4 (0.32)
SCHEMBL21343306 0.81 NOS3 (0.32) NOS3NOS1NOS2
SCHEMBL24876292 0.79 NOS3 (0.31) NOS3NOS1NOS2
SCHEMBL11991400 0.79 HRH3 (0.34)
SCHEMBL24555490 0.78 CYP2D6 (0.35) SORT1
SCHEMBL24398978 0.78 TSHR (0.34) NOS3NOS1NOS2
SCHEMBL4546630 0.76 NOS3 (0.36) NOS3NOS1NOS2
SCHEMBL4546619 0.76 GBA1 (0.30)
SCHEMBL21343583 0.76
SCHEMBL24555489 0.75 CYP3A4 (0.35)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024147972-A2 DNA POLYMERASE THETA INHIBITORS CONTAINING NON-SATURATED 5-MEMBERED HETEROCYCLIC RINGS AND USE THEREOF THOMAS JEFFERSON UNIVERSITY (US) 2024-07-11 WO disclosed
WO-2024076670-A2 TETHERED HETEROCYCLIC INHIBITORS OF KRAS G12C MUTANT PROTEINS AND USES THEREOF AMGEN INC. (US) 2024-04-11 WO disclosed
WO-2024076672-A1 HETEROCYCLIC INHIBITORS OF KRAS G12C MUTANT PROTEINS AND USES THEREOF AMGEN INC. (US) 2024-04-11 WO disclosed
WO-2024076674-A1 HETEROCYCLIC INHIBITORS OF KRAS G12C MUTANT PROTEINS AND USES THEREOF AMGEN INC. (US) 2024-04-11 WO disclosed
US-20230373934-A1 ANDROGEN RECEPTOR MODULATORS AND METHODS FOR THEIR USE ESSA PHARMA INC. (CA) 2023-11-23 US disclosed
US-20230357254-A1 IMIDAZOPYRIDAZINES AS MODULATORS OF IL-17 JANSSEN PHARMACEUTICA NV (BE) 2023-11-09 US disclosed
WO-2023173083-A1 TETRAHYDROINDOLE DERIVATIVES AS EGFR AND/OR HER2 INHIBTORS USEFUL FOR THE TREATMENT OF CANCER SCORPION THERAPEUTICS, INC. (US) 2023-09-14 WO disclosed
US-11702422-B2 Imidazopyridazines as modulators of IL-17 JANSSEN PHARMACEUTICA NV (BE) 2023-07-18 US disclosed
US-11691979-B2 Imidazopyridazines as modulators of IL-17 JANSSEN PHARMACEUTICA NV (BE) 2023-07-04 US disclosed
WO-2023283453-A1 PHENYL ACETAMIDE BASED IL-17A MODULATORS AND USES THEREOF DICE ALPHA, INC. (US) 2023-01-12 WO disclosed
EP-3798219-A1 PHENYL-SUBSTITUTED DIHYDRONAPHTHYRIDINE COMPOUND AND USE THEREOF Sunshine Lake Pharma Co., Ltd. (CN) 2021-03-31 EP disclosed
US-10829458-B2 Substituted quinazoline compounds and methods of use thereof ARAXES PHARMA LLC (US) 2020-11-10 US disclosed
US-10759781-B2 Substituted guanidine derivatives UBE INDUSTRIES, LTD. (JP) 2020-09-01 US disclosed
US-20200199121-A1 INHIBITORS OF EGFR AND/OR HER2 AND METHODS OF USE DANA-FARBER CANCER INSTITUTE, INC. 2020-06-25 US disclosed
US-20190284144-A1 SUBSTITUTED QUINAZOLINE COMPOUNDS AND METHODS OF USE THEREOF ARAXES PHARMA LLC 2019-09-19 US disclosed
US-20190201412-A1 COMPOUNDS THAT INHIBIT MCL-1 PROTEIN AMGEN INC. (US) 2019-07-04 US disclosed
US-20190152953-A1 SUBSTITUTED GUANIDINE DERIVATIVES UBE INDUSTRIES, LTD. (JP) 2019-05-23 US disclosed
WO-2017022861-A1 SUBSTITUTED GUANIDINE DERIVATIVE 宇部興産株式会社 2017-02-09 WO disclosed
WO-2015050471-A1 CARBAZOLE COMPOUNDS AND METHODS OF USING SAME OBSCHESTVO S OGRANICHENNOY OTVETSTVENNOST'YU "PANACELA LABS" (RU) 2015-04-09 WO disclosed
WO-2015050472-A1 FUSED INDOLE COMPOUNDS AND METHODS OF USING SAME OBSCHESTVO S OGRANICHENNOY OTVETSTVENNOST'YU "PANACELA LABS" (RU) 2015-04-09 WO 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 (10 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-20190201412-A1 COMPOUNDS THAT INHIBIT MCL-1 PROTEIN MCL1, BCL9, BCL2L1 NOS3 3598/4885NOS1 2390/4885NOS2 3347/4885
US-11691979-B2 Imidazopyridazines as modulators of IL-17 IL17A, IL23R, IL15 NOS3 403/4885NOS1 864/4885NOS2 433/4885
US-20230357254-A1 IMIDAZOPYRIDAZINES AS MODULATORS OF IL-17 IL17A, IL23R, IL15 NOS3 403/4885NOS1 864/4885NOS2 433/4885
US-20190284144-A1 SUBSTITUTED QUINAZOLINE COMPOUNDS AND METHODS OF USE THEREOF KRAS, NRAS, HRAS NOS3 3294/4885NOS1 2860/4885NOS2 3536/4885
US-10759781-B2 Substituted guanidine derivatives GMPS, GUCY1A1, GUCY1A2 NOS3 729/4885NOS1 416/4885NOS2 440/4885
US-11702422-B2 Imidazopyridazines as modulators of IL-17 IL17A, IL23R, IL15 NOS3 403/4885NOS1 864/4885NOS2 433/4885
US-10829458-B2 Substituted quinazoline compounds and methods of use thereof KRAS, NRAS, HRAS NOS3 3294/4885NOS1 2860/4885NOS2 3536/4885
US-20200199121-A1 INHIBITORS OF EGFR AND/OR HER2 AND METHODS OF USE EGFR, ERBB2, ERBB3 NOS3 3980/4885NOS1 3933/4885NOS2 3738/4885
US-20230373934-A1 ANDROGEN RECEPTOR MODULATORS AND METHODS FOR THEIR USE AR, SHBG, NR5A1 NOS3 4557/4885NOS1 4763/4885NOS2 4699/4885
US-20190152953-A1 SUBSTITUTED GUANIDINE DERIVATIVES GMPS, GUCY1A1, GUCY1A2 NOS3 729/4885NOS1 416/4885NOS2 440/4885

“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.