SCHEMBL25487243

SCHEMBL25487243

Cc1ccc(CN2CCNCC2)cc1-c1nccs1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 1/20 0.47
CXCR4 P61073 8/20 0.43
HCRTR1 O43613 1/20 0.40
HCRTR2 O43614 1/20 0.40
CYP3A4 P08684 1/20 0.40
MEN1 O00255 1/20 0.40
CHRM2 P08172 1/20 0.40
CHRM1 P11229 1/20 0.40
ADRA2C P18825 1/20 0.40
CCR2 P41597 1/20 0.40
CXCL12 P48061 1/20 0.40
BLM P54132 1/20 0.40
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
TNKS O95271 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
CAMKK2 Q96RR4 1/20 0.39
ALOX15 P16050 1/20 0.39
CHEK1 O14757 1/20 0.38

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
SCHEMBL20566654 0.82 KDR (0.43) KDRCXCR4MEN1CHRM2CHRM1
SCHEMBL25487242 0.77 GPR119 (0.48)
SCHEMBL591355 0.74 CXCR4 (0.55) CXCR4MEN1CHRM2CHRM1ADRA2C
SCHEMBL25829823 0.73 MGLL (0.57) KDR
SCHEMBL25487236 0.73 MGLL (0.66)
SCHEMBL18754041 0.71 CXCR4 (0.56) CXCR4MEN1CHRM2CHRM1ADRA2C
SCHEMBL25487266 0.71 CXCR4 (0.41) CXCR4MEN1CHRM2CHRM1ADRA2C
SCHEMBL18054026 0.70 CXCR4 (0.51) CXCR4MEN1CHRM2CHRM1ADRA2C
SCHEMBL27508440 0.70 CXCR4 (0.51) CXCR4MEN1CHRM2CHRM1ADRA2C
SCHEMBL1290082 0.69 SRC (0.50) CYP3A4MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230219897-A1 PYRAZOLE MAGL INHIBITORS H. LUNDBECK A/S (DK) 2023-07-13 US disclosed
US-11655217-B2 Pyrazole MAGL inhibitors H. LUNDBECK A/S (DK) 2023-05-23 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 (2 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-20230219897-A1 PYRAZOLE MAGL INHIBITORS MGLL, PNLIP, LPL KDR 4758/4885CXCR4 4314/4885HCRTR1 3881/4885
US-11655217-B2 Pyrazole MAGL inhibitors MGLL, PNLIP, LPL KDR 4669/4885CXCR4 4250/4885HCRTR1 3800/4885

“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.