SCHEMBL2911368

SCHEMBL2911368

CN(C)CCN1CCCNCC1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 9/20 0.57
SIGMAR1 Q99720 2/20 0.45
MEN1 O00255 1/20 0.42
CHRM2 P08172 1/20 0.42
CHRM1 P11229 1/20 0.42
ADRA2C P18825 1/20 0.42
CCR2 P41597 1/20 0.42
CXCL12 P48061 1/20 0.42
BLM P54132 1/20 0.42
KMT2A Q03164 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
HRH3 Q9Y5N1 1/20 0.42
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
POLB P06746 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
RAD52 P43351 1/20 0.37

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
Hydrochloric Acid SCHEMBL4326310 0.98 CXCR4 (0.55) CXCR4SIGMAR1MEN1CHRM2CHRM1
SCHEMBL2912801 0.92 ALDH1A1 (0.45) CXCR4SIGMAR1MEN1KMT2AALDH1A1
SCHEMBL19604 0.92 ALDH1A1 (0.45) CXCR4SIGMAR1MEN1KMT2AALDH1A1
Hydrochloric Acid SCHEMBL6151027 0.90 ALDH1A1 (0.44) CXCR4SIGMAR1CHRM2CHRM1ALDH1A1
Piperazine SCHEMBL27980522 0.90 CXCR4 (0.47) CXCR4SIGMAR1MEN1CHRM2CHRM1
SCHEMBL12501275 0.89 CXCR4 (0.63) CXCR4SIGMAR1MEN1CHRM2CHRM1
SCHEMBL9059406 0.81 ALDH1A1 (0.37) CXCR4SIGMAR1ALDH1A1MAPTPOLB
SCHEMBL30208365 0.81 CXCR4 (0.36) CXCR4SIGMAR1HRH3ALDH1A1MAPT
SCHEMBL23337601 0.80 CXCR4 (0.74) CXCR4SIGMAR1MEN1CHRM2CHRM1
SCHEMBL9927905 0.80

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
EP-4050005-B1 BICYCLIC BET BROMODOMAIN INHIBITORS AND USES THEREOF CONVERGENE LLC (US) 2024-12-25 EP disclosed
US-20230348453-A1 HALOGENATED-HETEROARYL AND OTHER HETEROCYCLIC KINASE INHIBITORS, AND USES THEREOF IOMX THERAPEUTICS AG (DE) 2023-11-02 US disclosed
US-20230348453-A1 HALOGENATED-HETEROARYL AND OTHER HETEROCYCLIC KINASE INHIBITORS, AND USES THEREOF IOMX THERAPEUTICS AG (DE) 2023-11-02 US disclosed
CN-115806550-A Bicyclic BET bromodomain inhibitors and uses thereof 康威基内有限公司 2023-03-17 CN disclosed
CN-109641886-B Bicyclic BET bromodomain inhibitors and uses thereof 康威基内有限公司 2022-11-18 CN disclosed
EP-4050005-A1 BICYCLIC BET BROMODOMAIN INHIBITORS AND USES THEREOF CONVERGENE LLC (US) 2022-08-31 EP disclosed
EP-3380469-B1 BICYCLIC BET BROMODOMAIN INHIBITORS AND USES THEREOF CONVERGENE LLC (US) 2022-03-16 EP disclosed
WO-2021219731-A2 BICYCLIC KINASE INHIBITORS AND USES THEREOF IOMX THERAPEUTICS AG (DE) 2021-11-04 WO disclosed
WO-2021214117-A1 HALOGENATED-HETEROARYL AND OTHER HETEROCYCLIC KINASE INHIBITORS, AND USES THEREOF IOMX THERAPEUTICS AG (DE) 2021-10-28 WO disclosed
EP-3901151-A1 HALOGENATED-HETEROARYL AND OTHER HETEROCYCLIC KINASE INHIBITORS, AND USES THEREOF iOmx Therapeutics AG (DE) 2021-10-27 EP disclosed
US-20070254881-A1 Pyrazole Derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-11-01 US disclosed
EP-1803719-A1 1,5-DIHETEROCYCLE-1H-TRIAZOLE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-07-04 EP disclosed
EP-1785418-A1 PYRAZOLE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-05-16 EP disclosed
EP-1762568-A1 PYRAZOLE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-03-14 EP disclosed
US-20060189591-A1 Five-membered heterocyclic derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-08-24 US disclosed
US-20060128685-A1 Pyrazole derivative DAIICHI PHARMACEUTICAL CO., LTD., (JP) 2006-06-15 US disclosed
CN-1774435-A 5-membered heterocyclic derivative DAIICHI SEIYAKU CO (JP) 2006-05-17 CN disclosed
CN-1759110-A Pyrazole derivatives DAIICHI SEIYAKU CO (JP) 2006-04-12 CN disclosed
EP-1621537-A1 FIVE-MEMBERED HETEROCYCLIC DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-02-01 EP disclosed
EP-1591443-A1 PYRAZOLE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-11-02 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 (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-20070254881-A1 Pyrazole Derivative PTGER1, PTGS1, PTGER2 CXCR4 3301/4885SIGMAR1 743/4885MEN1 3587/4885
US-20060128685-A1 Pyrazole derivative PTGS1, PTGS2, PTGER1 CXCR4 2237/4885SIGMAR1 1082/4885MEN1 4127/4885
US-20060189591-A1 Five-membered heterocyclic derivative PTGS1, PTGIS, PTGS2 CXCR4 2271/4885SIGMAR1 3899/4885MEN1 2886/4885
US-20230348453-A1 HALOGENATED-HETEROARYL AND OTHER HETEROCYCLIC KINASE INHIBITORS, AND USES THEREOF ABL1, PRKDC, PRKACA CXCR4 1484/4885SIGMAR1 3814/4885MEN1 2847/4885

“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.