SCHEMBL4932048

SCHEMBL4932048

O=C(c1cc(-c2ccc(CF)cn2)n(-c2cccnc2)n1)N1CCC(F)(F)CC1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 9/20 0.38
CHRNA7 P36544 1/20 0.38
CYP3A4 P08684 2/20 0.37
VNN1 O95497 1/20 0.37
CYP2D6 P10635 2/20 0.36
CYP1A2 P05177 3/20 0.35
USP2 O75604 2/20 0.35
CYP2C19 P33261 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
MARS1 P56192 1/20 0.35
MAPK1 P28482 1/20 0.35
CYP2C9 P11712 2/20 0.35
TSHR P16473 2/20 0.35
ALDH1A1 P00352 1/20 0.35
HTR1A P08908 1/20 0.35
NTRK1 P04629 1/20 0.35

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
SCHEMBL4926813 0.93 VNN1 (0.39) MGLLCHRNA7CYP3A4VNN1CYP2D6
SCHEMBL4931012 0.92 CHRNA7 (0.39) MGLLCHRNA7CYP3A4VNN1CYP2D6
SCHEMBL4936031 0.92 MGLL (0.38) MGLLCHRNA7CYP3A4VNN1CYP2D6
SCHEMBL4924280 0.90 MGLL (0.38) MGLLCHRNA7CYP3A4VNN1ALDH1A1
SCHEMBL4931192 0.88 MGLL (0.45) MGLLCHRNA7CYP3A4CYP1A2USP2
SCHEMBL4931713 0.87 CHRNA7 (0.40) MGLLCHRNA7CYP3A4CYP1A2USP2
SCHEMBL4931848 0.87 CHRNA7 (0.46) MGLLCHRNA7CYP3A4CYP1A2USP2
SCHEMBL4931684 0.87 KDM1A (0.43) MGLLCHRNA7CYP3A4USP2CYP2C19
SCHEMBL4932442 0.86 CHRNA7 (0.39) MGLLCHRNA7CYP3A4VNN1CYP1A2
SCHEMBL4931407 0.86 KDM1A (0.45) MGLLCHRNA7CYP3A4CYP2D6CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080064682-A1 Pyrazole Derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2008-03-13 US disclosed
US-20080064682-A1 Pyrazole Derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2008-03-13 US disclosed
US-20080064682-A1 Pyrazole Derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2008-03-13 US disclosed
CN-1980912-A Pyrazole derivatives DAIICHI SEIYAKU CO (JP) 2007-06-13 CN disclosed
EP-1762568-A1 PYRAZOLE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-03-14 EP disclosed
EP-1762568-A1 PYRAZOLE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-03-14 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 (1 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-20080064682-A1 Pyrazole Derivatives NAT1, AR, CBR3 MGLL 4785/4885CHRNA7 3075/4885CYP3A4 65/4885

“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.