SCHEMBL4924252

SCHEMBL4924252

CN(C)Cc1[c]nncc1

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.36
CHRNA4 P43681 1/20 0.36
HRH3 Q9Y5N1 1/20 0.34
ALDH1A1 P00352 1/20 0.34
TSHR P16473 1/20 0.34
TAAR1 Q96RJ0 1/20 0.30
CYP2A6 P11509 1/20 0.30

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
SCHEMBL790366 0.76
SCHEMBL4923410 0.71 CHRNB2 (0.44) CHRNB2CHRNA4HRH3ALDH1A1TSHR
SCHEMBL1849760 0.70
SCHEMBL4724402 0.68
SCHEMBL5335236 0.68 TDP1 (0.39) ALDH1A1
SCHEMBL4934437 0.67 SMN1; SMN2 (0.33) ALDH1A1
SCHEMBL18229957 0.67 CHRNB2 (0.39) CHRNB2CHRNA4HRH3ALDH1A1TSHR
SCHEMBL17103323 0.67
SCHEMBL4720431 0.66 HCAR3 (0.32)
SCHEMBL4723326 0.65 TERT (0.31) ALDH1A1TSHR

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-20080125409-A1 1,5-Diheterocycle-1H-Triazole Derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2008-05-29 US disclosed
US-20080064682-A1 Pyrazole Derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2008-03-13 US 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

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-20080125409-A1 1,5-Diheterocycle-1H-Triazole Derivative PTGS1, PTGER1, TBXA2R CHRNB2 3983/4885CHRNA4 4151/4885HRH3 272/4885
US-20070254881-A1 Pyrazole Derivative PTGER1, PTGS1, PTGER2 CHRNB2 4294/4885CHRNA4 4358/4885HRH3 874/4885
US-20080064682-A1 Pyrazole Derivatives NAT1, AR, CBR3 CHRNB2 2997/4885CHRNA4 3227/4885HRH3 1737/4885

“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.