SCHEMBL10101763

SCHEMBL10101763

OC1CCOc2cccnc21

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAP3K14 Q99558 2/20 0.49
P2RX7 Q99572 8/20 0.38
CXCR4 P61073 1/20 0.36
ITGB2 P05107 1/20 0.35
ICAM1 P05362 1/20 0.35
ITGAL P20701 1/20 0.35
CTNNB1 P35222 1/20 0.35
LMNA P02545 2/20 0.32
CRHBP P24387 2/20 0.32
CRHR2 Q13324 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
HTT P42858 1/20 0.32
EPHX2 P34913 1/20 0.32

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
SCHEMBL19852041 0.81 P2RX7 (0.39) P2RX7SMN1; SMN2HTT
SCHEMBL10297720 0.79 MAP3K14 (0.38) MAP3K14P2RX7CXCR4ITGB2ICAM1
SCHEMBL5054785 0.79 CXCR4 (0.38) MAP3K14CXCR4ITGB2ICAM1ITGAL
SCHEMBL10101759 0.79 CXCR4 (0.36) MAP3K14CXCR4ITGB2ICAM1ITGAL
SCHEMBL5051454 0.79 CXCR4 (0.38) MAP3K14CXCR4ITGB2ICAM1ITGAL
SCHEMBL12993334 0.79 CXCR4 (0.36) MAP3K14CXCR4ITGB2ICAM1ITGAL
SCHEMBL12891532 0.79 MAP3K14 (0.38) MAP3K14P2RX7CXCR4ITGB2ICAM1
SCHEMBL12891533 0.79 MAP3K14 (0.38) MAP3K14P2RX7CXCR4ITGB2ICAM1
SCHEMBL31482094 0.79 CXCR4 (0.38) MAP3K14CXCR4ITGB2ICAM1ITGAL
SCHEMBL30630753 0.79 CXCR4 (0.38) MAP3K14CXCR4ITGB2ICAM1ITGAL

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4143179-B1 AZETIDIN-3-YLMETHANOL DERIVATIVES AS CCR6 RECEPTOR MODULATORS FOR THE TREATMENT OF CANCER IDORSIA PHARMACEUTICALS LTD (CH) 2025-10-22 EP claimed
CN-116635380-A PPARgamma modulators and methods of use 卫材R&D管理有限公司 2023-08-22 CN disclosed
US-8470863-B2 Derivatives and analogs of chroman as functionally selective ALPHA2C adrenoreceptor agonists MERCK SHARP & DOHME, CORP. (US) 2013-06-25 US disclosed
US-8470863-B2 Derivatives and analogs of chroman as functionally selective ALPHA2C adrenoreceptor agonists MERCK SHARP & DOHME, CORP. (US) 2013-06-25 US disclosed
US-20130102631-A1 NOVEL MICROBIOCIDAL DIOXIME ETHER DERIVATIVES SYNGENTA CROP PROTECTION LLC (US) 2013-04-25 US disclosed
US-20130102631-A1 NOVEL MICROBIOCIDAL DIOXIME ETHER DERIVATIVES SYNGENTA CROP PROTECTION LLC (US) 2013-04-25 US disclosed
US-20120028940-A1 FUNCTIONALLY SELECTIVE AZANITRILE ALPHA-2C ADRENORECEPTOR AGONISTS MERCK SHARP & DOHME CORP. (US) 2012-02-02 US disclosed
US-20120028940-A1 FUNCTIONALLY SELECTIVE AZANITRILE ALPHA-2C ADRENORECEPTOR AGONISTS MERCK SHARP & DOHME CORP. (US) 2012-02-02 US disclosed
WO-2012001040-A1 NOVEL MICROBIOCIDAL DIOXIME ETHER DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2012-01-05 WO disclosed
US-20100168195-A1 DERIVATIVES AND ANALOGS OF CHROMAN AS FUNCTIONALLY SELECTIVE ALPHA2C ADRENORECEPTOR AGONISTS MERCK SHARP & DOHME CORP. 2010-07-01 US disclosed
US-20100168195-A1 DERIVATIVES AND ANALOGS OF CHROMAN AS FUNCTIONALLY SELECTIVE ALPHA2C ADRENORECEPTOR AGONISTS MERCK SHARP & DOHME CORP. 2010-07-01 US disclosed
WO-2010033495-A2 FUNCTIONALLY SELECTIVE AZANITRILE ALPHA2C ADRENORECEPTOR AGONISTS SCHERING CORPORATION (US) 2010-03-25 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 (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-20120028940-A1 FUNCTIONALLY SELECTIVE AZANITRILE ALPHA-2C ADRENORECEPTOR AGONISTS ADRA2C, ADRB2, ADRA2A MAP3K14 2681/4885P2RX7 227/4885CXCR4 584/4885
US-20100168195-A1 DERIVATIVES AND ANALOGS OF CHROMAN AS FUNCTIONALLY SELECTIVE ALPHA2C ADRENORECEPTOR AGONISTS ADRA2C, ADRB2, ADRA2A MAP3K14 1931/4885P2RX7 213/4885CXCR4 150/4885
US-20130102631-A1 NOVEL MICROBIOCIDAL DIOXIME ETHER DERIVATIVES MSR1, DDT, MPO MAP3K14 3907/4885P2RX7 445/4885CXCR4 2140/4885

“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.