SCHEMBL6398487

SCHEMBL6398487

OC1CCN(c2ccccc2)C1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 4/20 0.59
MBTD1 Q05BQ5 1/20 0.48
L3MBTL3 Q96JM7 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
AR P10275 1/20 0.47
SLC18A3 Q16572 1/20 0.47
RORC P51449 3/20 0.46
DPP4 P27487 2/20 0.44
KCNA3 P22001 1/20 0.43
ALDH1A1 P00352 1/20 0.43
BPTF Q12830 1/20 0.42
HTR3E A5X5Y0 1/20 0.42
HTR3B O95264 1/20 0.42
ADRB1 P08588 1/20 0.42
HTR3A P46098 1/20 0.42
HTR3D Q70Z44 1/20 0.42
HTR3C Q8WXA8 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
LMNA P02545 1/20 0.42
PHGDH O43175 1/20 0.42

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
SCHEMBL17392707 1.00 NOTUM (0.59) NOTUMMBTD1L3MBTL3L3MBTL1AR
SCHEMBL3436548 1.00 NOTUM (0.59) NOTUMMBTD1L3MBTL3L3MBTL1AR
SCHEMBL16292723 0.89 NOTUM (0.54) NOTUMMBTD1L3MBTL3L3MBTL1AR
SCHEMBL6628944 0.88 ALDH1A1 (0.53) NOTUMMBTD1L3MBTL3L3MBTL1SLC18A3
SCHEMBL3537362 0.87 MBTD1 (0.57) NOTUMMBTD1L3MBTL3L3MBTL1SLC18A3
Trifluoroacetic Acid SCHEMBL4748972 0.87 NOTUM (0.55) NOTUMRORCDPP4
Hydrochloric Acid SCHEMBL28187302 0.86 ALDH1A1 (0.51) NOTUMMBTD1L3MBTL3L3MBTL1SLC18A3
Water SCHEMBL27700656 0.86 ALDH1A1 (0.51) NOTUMMBTD1L3MBTL3L3MBTL1AR
Hydrochloric Acid SCHEMBL1920820 0.85 MBTD1 (0.55) NOTUMMBTD1L3MBTL3L3MBTL1SLC18A3
SCHEMBL28940844 0.85 MBTD1 (0.55) NOTUMMBTD1L3MBTL3L3MBTL1SLC18A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240270748-A1 TRICYCLIC HETEROCYCLES MERCK PATENT GMBH (DE) 2024-08-15 US claimed
US-20050267156-A1 Broadspectrum 2-amino-benzothiazole sulfonamide hiv protease inhibitors TIBOTEC PHARMACEUTICALS LTD. 2005-12-01 US claimed
US-20240270748-A1 TRICYCLIC HETEROCYCLES MERCK PATENT GMBH (DE) 2024-08-15 US disclosed
US-20240018125-A1 CYCLIC ISOTHIOUREA DERIVATIVES AS CXCR4 MODULATORS ERMIUM THERAPEUTICS (FR) 2024-01-18 US disclosed
CN-116568675-A Cyclic isothiourea derivatives as CXCR4 modulators 埃尔米乌治疗公司 2023-08-08 CN disclosed
EP-4217353-A1 CYCLIC ISOTHIOUREA DERIVATIVES AS CXCR4 MODULATORS Ermium Therapeutics (FR) 2023-08-02 EP disclosed
WO-2022064075-A1 CYCLIC ISOTHIOUREA DERIVATIVES AS CXCR4 MODULATORS ERMIUM THERAPEUTICS (FR) 2022-03-31 WO disclosed
US-9745328-B2 Flap modulators JANSSEN PHARMACEUTICA NV (BE) 2017-08-29 US disclosed
US-9580416-B2 Inhibitors of Bruton's tyrosine kinase PHARMACYCLICS LLC (US) 2017-02-28 US disclosed
EP-3068758-A1 EBNA1 INHIBITORS AND THEIR METHOD OF USE The Wistar Institute Of Anatomy And Biology (US) 2016-09-21 EP disclosed
EP-3049405-A1 AUTOTAXIN INHIBITOR COMPOUNDS Pharmakea Inc. (US) 2016-08-03 EP disclosed
US-6130338-A OXIDATING THE CORRESPONDING 3-PYRROLINE COMPOUND TO GIVE AN EPOXYPYRROLIDINE COMPOUND TORAY INDUSTRIES, INC. (JP) 2000-10-10 US disclosed
EP-0974602-A1 Catalyst and process for hydrogenating olefinically unsaturated compound JSR Corporation (JP) 2000-01-26 EP disclosed
EP-0826687-A1 Carbapenem derivatives and antimicrobial agents comprising the same SUNTORY LIMITED (JP) 1998-03-04 EP disclosed
EP-0774465-A1 Penem derivatives and antimicrobial agents containing the same SUNTORY LIMITED (JP) 1997-05-21 EP disclosed
EP-0757051-A1 PENEM DERIVATIVES AND ANTIMICROBIAL AGENT CONTAINING THE SAME SUNTORY LIMITED (JP) 1997-02-05 EP disclosed
EP-0513247-A4 SIDE CHAIN COPOLYMERS EXHIBITING NONLINEAR OPTICAL RESPONSE 1993-02-03 EP disclosed
EP-0513247-A1 SIDE CHAIN COPOLYMERS EXHIBITING NONLINEAR OPTICAL RESPONSE HOECHST CELANESE CORPORATION (US) 1992-11-19 EP disclosed
WO-1991012462-A1 SIDE CHAIN COPOLYMERS EXHIBITING NONLINEAR OPTICAL RESPONSE HOECHST CELANESE CORPORATION (US) 1991-08-22 WO disclosed
US-5041509-A Side chain copolymers exhibiting nonlinear optical response CORNING INCORPORATRED 1991-08-20 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 (3 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-20240270748-A1 TRICYCLIC HETEROCYCLES YAP1, TERF2IP, TEAD1 NOTUM 4164/4885MBTD1 521/4885L3MBTL3 1580/4885
US-20240018125-A1 CYCLIC ISOTHIOUREA DERIVATIVES AS CXCR4 MODULATORS CXCR4, CXCR1, CXCL12 NOTUM 4743/4885MBTD1 966/4885L3MBTL3 4797/4885
US-20050267156-A1 Broadspectrum 2-amino-benzothiazole sulfonamide hiv protease inhibitors PRSS1, SPINT2, TMPRSS2 NOTUM 919/4885MBTD1 194/4885L3MBTL3 599/4885

“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.