SCHEMBL368032

SCHEMBL368032

CC(C)(C)OC(=O)n1c(CCl)nc2ccccc21

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
FAAH O00519 1/20 0.45
HDAC6 Q9UBN7 1/20 0.44
NR1H2 P55055 5/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
MAPT P10636 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
TBXA2R P21731 3/20 0.42
CNR2 P34972 1/20 0.42
ALDH1A1 P00352 2/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
KDM4E B2RXH2 1/20 0.41
NR1H3 Q13133 1/20 0.41
PTGS1 P23219 1/20 0.41
PTGS2 P35354 1/20 0.41

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
SCHEMBL21651840 0.90 MEN1 (0.53) MEN1KMT2ATBXA2RALDH1A1KDM4E
SCHEMBL4065436 0.90 CNR2 (0.46) CYP1A2CYP3A4CYP2D6HDAC6NR1H2
SCHEMBL14838247 0.89 CYP1A2 (0.47) CYP1A2CYP3A4CYP2D6HDAC6NR1H2
SCHEMBL6095029 0.88 CYP1A2 (0.40) CYP1A2CYP3A4CYP2D6FAAHHDAC6
SCHEMBL14300652 0.88 CYP1A2 (0.46) CYP1A2CYP3A4CYP2D6HDAC6NR1H2
SCHEMBL6951341 0.86 CYP1A2 (0.45) CYP1A2CYP3A4CYP2D6HDAC6NR1H2
SCHEMBL21651845 0.86 CYP1A2 (0.45) CYP1A2CYP3A4CYP2D6HDAC6NR1H2
SCHEMBL15294552 0.85 NR1H2 (0.48) CYP1A2CYP3A4CYP2D6HDAC6NR1H2
SCHEMBL4698252 0.85 SMN1; SMN2 (0.47) NR1H2KMT2AMAPTL3MBTL1CNR2
SCHEMBL6095249 0.84 MAPT (0.47) CYP1A2CYP3A4CYP2D6HDAC6NR1H2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1901747-A2 PYRIMIDINE-BASED CDK INHIBITORS FOR TREATING PAIN Ingenium Pharmaceuticals AG (DE) 2008-03-26 EP claimed
WO-2006125616-A2 PYRIMIDINE-BASED CDK INHIBITORS FOR TREATING PAIN INGENIUM PHARMACEUTICALS AG (DE) 2006-11-30 WO claimed
EP-3364967-B1 FERROPORTIN INHIBITORS VIFOR INT AG (CH) 2026-05-20 EP disclosed
CN-112839649-B CXCR4 inhibitor compositions and methods of making and using the same X4 制药有限公司 2026-05-15 CN disclosed
EP-4651955-A1 INHIBITOR COMPOUNDS Neophore Limited (GB) 2025-11-26 EP disclosed
US-20250228843-A1 COMPOSITIONS OF CXCR4 INHIBITORS AND METHODS OF PREPARATION AND USE X4 PHARMACEUTICALS, INC. 2025-07-17 US disclosed
EP-3365339-B1 NOVEL FERROPORTIN INHIBITORS VIFOR INT AG (CH) 2025-07-16 EP disclosed
EP-4219460-B1 TRANSGLUTAMINASE 2 (TG2) INHIBITORS SITARI PHARMA INC (US) 2025-02-26 EP disclosed
US-20250011324-A1 TRANSGLUTAMINASE 2 (TG2) INHIBITORS SITARI PHARMA, INC., 2025-01-09 US disclosed
US-12152026-B2 Transglutaminase 2 (TG2) inhibitors SITARI PHARMA, INC. (US) 2024-11-26 US disclosed
US-12115156-B2 Compositions of CXCR4 inhibitors and methods of preparation and use X4 PHARMACEUTICALS, INC. (US) 2024-10-15 US disclosed
US-6348482-B1 CONTROLLED RELEASE MICROBIOCIDES MERCK & CO., INC. 2002-02-19 US disclosed
EP-1176958-A1 NOVEL CATECHOLS AS ANTIMICROBIAL AGENTS Merck & Co., Inc. (US) 2002-02-06 EP disclosed
US-6329523-B1 FOR ANTIBACTERIAL PHARMACEUTICAL USE, USEFUL FOR IDENTIFYING METAL CHELATING SPECIES FOR ?HEAVY METAL? THERAPY; IMAGING AGENTS ISIS PHARMACEUTICALS, INC. 2001-12-11 US disclosed
US-6191273-B1 3,6,10,14-SUBSTITUTED-3,6,10,16-TETRAAZABICYCLO(10.3.1)-HEXADE CA-1(16),12,14-TRIENE COMPOUNDS OF GIVEN FORMULA; ANTIBACTERIAL AND OTHER UTILITIES, SUCH AS TO SCREEN FOR PESTICIDES OR DRUGS ISIS PHARMACEUTICALS, INC. 2001-02-20 US disclosed
WO-2000066120-A1 NOVEL CATECHOLS AS ANTIMICROBIAL AGENTS MERCK & CO., INC. (US) 2000-11-09 WO disclosed
WO-1999011612-A2 SUBSTITUTED CYCLIC COMPOUNDS AND MIXTURES COMPRISING SAME ISIS PHARMACEUTICALS, INC. (US) 1999-03-11 WO disclosed
WO-1998005961-A1 COMPOUNDS HAVING A PLURALITY OF NITROGENOUS SUBSTITUENTS ISIS PHARMACEUTICALS, INC. (US) 1998-02-12 WO disclosed
US-5331006-A Cholecystokinin, antisecretory agents WARNER-LAMBERT COMPANY (US) 1994-07-19 US disclosed
WO-1992004025-A1 AMINO ACID ANALOGS AS CCK ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1992-03-19 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 (4 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-12152026-B2 Transglutaminase 2 (TG2) inhibitors TGM2, TGM3, TGM1 CYP1A2 3246/4885CYP3A4 3514/4885CYP2D6 3638/4885
US-20250228843-A1 COMPOSITIONS OF CXCR4 INHIBITORS AND METHODS OF PREPARATION AND USE CXCR4, CXCL12, CXCR1 CYP1A2 4545/4885CYP3A4 4735/4885CYP2D6 4615/4885
US-20250011324-A1 TRANSGLUTAMINASE 2 (TG2) INHIBITORS TGM2, TGM3, TGM1 CYP1A2 3246/4885CYP3A4 3514/4885CYP2D6 3638/4885
US-12115156-B2 Compositions of CXCR4 inhibitors and methods of preparation and use CXCR4, CXCL12, CXCR1 CYP1A2 4545/4885CYP3A4 4735/4885CYP2D6 4615/4885

“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.