SCHEMBL4070889

SCHEMBL4070889

CCN1CC2(CCNC2)C1

nearest known ligand 0.72

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.72
CYP2D6 P10635 9/20 0.36
PDCD1LG2 Q9BQ51 2/20 0.35
CD274 Q9NZQ7 2/20 0.35
CYP3A4 P08684 4/20 0.35
CYP1A2 P05177 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.33
KDM1A O60341 1/20 0.33
MAOB P27338 1/20 0.33
RCOR1 Q9UKL0 1/20 0.33
ALDH1A1 P00352 3/20 0.32
CYP2C19 P33261 3/20 0.32
CYP2C9 P11712 2/20 0.31
MAPK1 P28482 1/20 0.31
USP2 O75604 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
HIF1A Q16665 1/20 0.30

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
SCHEMBL16330600 0.88 TSHR (0.58) TSHRCYP2D6CYP3A4CYP1A2SMN1; SMN2
SCHEMBL10128587 0.86 TSHR (0.60) TSHRCYP2D6CYP3A4CYP1A2SMN1; SMN2
SCHEMBL1509491 0.86 TSHR (0.96) TSHRCYP2D6PDCD1LG2CD274CYP3A4
Hydrochloric Acid SCHEMBL9689647 0.84 TSHR (1.00) TSHRCYP2D6PDCD1LG2CD274CYP3A4
SCHEMBL26503872 0.83 TSHR (0.58) TSHRCYP2D6PDCD1LG2CD274CYP3A4
SCHEMBL16579956 0.83 TSHR (0.77) TSHRCYP2D6PDCD1LG2CD274CYP3A4
SCHEMBL10101694 0.81
SCHEMBL10263070 0.81 TSHR (0.76) TSHRCYP2D6PDCD1LG2CD274CYP3A4
SCHEMBL19606424 0.80 TSHR (0.54) TSHRCYP2D6PDCD1LG2CD274CYP3A4
SCHEMBL25787534 0.79 TSHR (0.81) TSHRCYP2D6PDCD1LG2CD274CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260078134-A1 Macrocyclic Compounds as RAS Inhibitors BEONE MEDICINES I GMBH (CH) 2026-03-19 US disclosed
WO-2024008941-A1 NEW SPIROCYCLOHEXANE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USES AS ANTI-APOPTOTIC INHIBITORS LES LABORATOIRES SERVIER (FR) 2024-01-11 WO disclosed
US-11731981-B2 CCR2 receptor antagonists and uses thereof CENTREXION THERAPEUTICS CORPORATION (US) 2023-08-22 US disclosed
US-11731981-B2 CCR2 receptor antagonists and uses thereof CENTREXION THERAPEUTICS CORPORATION (US) 2023-08-22 US disclosed
WO-2023144160-A1 NEW HETEROCYCLIC COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2023-08-03 WO disclosed
US-20230112485-A1 THERAPEUTIC COMPOUNDS GENENTECH, INC. (US) 2023-04-13 US disclosed
US-20220395576-A1 MODULATORS OF BCL6 PROTEOLYSIS AND ASSOCIATED METHODS OF USE ARVINAS OPERATIONS, INC. 2022-12-15 US disclosed
WO-2022133285-A1 MOLECULES AND METHODS RELATED TO TREATMNET OF DISORDERS ASSOCIATED WITH JAK-2 SIGNALING DYSFUNCTION ST. JUDE CHILDREN'S RESEARCH HOSPITAL (US) 2022-06-23 WO disclosed
US-20220002310-A1 CCR2 RECEPTOR ANTAGONISTS AND USES THEREOF ANKURA TRUST COMPANY, LLC, AS ADMINISTRATIVE AND COLLATERAL AGENT 2022-01-06 US disclosed
US-11046706-B2 CCR2 receptor antagonists and uses thereof CENTREXION THERAPEUTICS CORPORATION (US) 2021-06-29 US disclosed
WO-2009050242-A2 HETEROCYCLE-SUBSTITUTED PIPERAZINO-DIHYDROTHIENOPYRIMIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-04-23 WO disclosed
US-7511045-B2 Dihydrothienopyrimidines; gastrointestinal disorders; cancer BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-03-31 US disclosed
US-7511045-B2 Dihydrothienopyrimidines; gastrointestinal disorders; cancer BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-03-31 US disclosed
US-20080096882-A1 PDE4 (Phosphodiesterase) inhibitors; respiratory diseases, gastrointestinal diseases, inflammation the joints, skin or eyes, cancers, or diseases of the peripheral or central nervous system BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-04-24 US disclosed
US-20070259846-A1 Dihydrothienopyrimidines; gastrointestinal disorders; cancer BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-11-08 US disclosed
US-20070259846-A1 Dihydrothienopyrimidines; gastrointestinal disorders; cancer BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-11-08 US disclosed
WO-2007118793-A1 DIHYDROTHIENOPYRIMIDINE FOR TREATING INFLAMMATORY DISORDERS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-10-25 WO disclosed
EP-1847543-A1 Dihydrothienopyrimidines for the treatment of inflammatory diseases Boehringer Ingelheim Pharma GmbH & Co. KG (DE) 2007-10-24 EP disclosed
WO-2006111549-A1 DIHYDROTHIENOPYRIMIDINES FOR THE TREATMENT OF INFLAMMATORY DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-10-26 WO disclosed
EP-0417631-A2 Condensed diazepinones, process for their preparation, and medicaments containing these compounds Dr. Karl Thomae GmbH (DE) 1991-03-20 EP 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 (8 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-11046706-B2 CCR2 receptor antagonists and uses thereof CCR2, CCRL2, CCR1 TSHR 844/4885CYP2D6 1790/4885PDCD1LG2 679/4885
US-20260078134-A1 Macrocyclic Compounds as RAS Inhibitors NRAS, KRAS, HRAS TSHR 2396/4885CYP2D6 692/4885PDCD1LG2 3776/4885
US-20230112485-A1 THERAPEUTIC COMPOUNDS BRDT, BRPF3, SNRPE TSHR 2197/4885CYP2D6 4859/4885PDCD1LG2 4109/4885
US-11731981-B2 CCR2 receptor antagonists and uses thereof CCR2, CCRL2, CCR1 TSHR 844/4885CYP2D6 1790/4885PDCD1LG2 679/4885
US-20080096882-A1 PDE4 (Phosphodiesterase) inhibitors; respiratory diseases, gastrointestinal diseases, inflammation the joints, skin or eyes, cancers, or diseases of the peripheral or central nervous system PDE4A, PDE4B, PDE12 TSHR 2188/4885CYP2D6 191/4885PDCD1LG2 2567/4885
US-20220395576-A1 MODULATORS OF BCL6 PROTEOLYSIS AND ASSOCIATED METHODS OF USE BCL6, BCL6B, BCL3 TSHR 3100/4885CYP2D6 4179/4885PDCD1LG2 462/4885
US-20220002310-A1 CCR2 RECEPTOR ANTAGONISTS AND USES THEREOF CCR2, CCRL2, CCR1 TSHR 844/4885CYP2D6 1790/4885PDCD1LG2 679/4885
US-20070259846-A1 Dihydrothienopyrimidines; gastrointestinal disorders; cancer DPYD, DHODH, DPM1 TSHR 3920/4885CYP2D6 14/4885PDCD1LG2 2144/4885

“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.