SCHEMBL188039

SCHEMBL188039

CN1CCC(C(O)c2cc[c]cc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CARM1 Q86X55 1/20 0.46
PRMT6 Q96LA8 1/20 0.46
HTR2A P28223 6/20 0.44
HTR2C P28335 3/20 0.44
CYP2D6 P10635 2/20 0.44
KDM4E B2RXH2 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
TSHR P16473 1/20 0.44
HTR7 P34969 2/20 0.42
HRH3 Q9Y5N1 2/20 0.42
HRH4 Q9H3N8 1/20 0.42
HRH1 P35367 1/20 0.40
HTR6 P50406 1/20 0.36
FPR2 P25090 1/20 0.36
PROKR1 Q8TCW9 1/20 0.36
STAT3 P40763 1/20 0.36

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
SCHEMBL27766881 0.83 AKT2 (0.36) CYP2D6HRH3HRH4
SCHEMBL3392214 0.82 CARM1 (0.63) CARM1PRMT6HTR2AHTR2CCYP2D6
SCHEMBL8336164 0.80 DHODH (0.47) CARM1PRMT6HTR2AHTR2CCYP2D6
SCHEMBL3391983 0.79 HRH3 (0.55) CARM1PRMT6HTR2AHTR2CCYP2D6
SCHEMBL3394400 0.79 HTR2A (0.64) CARM1PRMT6HTR2AHTR2CCYP2D6
SCHEMBL189154 0.79 HTR2A (0.46) CARM1PRMT6HTR2AHTR2CCYP2D6
SCHEMBL10112214 0.79 CCR5 (0.48) CARM1PRMT6HTR2AHTR2CCYP2D6
SCHEMBL317788 0.78 DHODH (0.50) HTR2AHTR2CCYP2D6KDM4ECYP1A2
SCHEMBL7893054 0.73 CARM1 (0.40) CARM1PRMT6HTR2AHTR2CCYP2D6
SCHEMBL23962430 0.71 SLC6A3 (0.52) CARM1PRMT6HTR2AHTR2CCYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8288396-B2 Pyrimidopyrimidoindazole derivative MSDKK (JP) 2012-10-16 US disclosed
US-20120134955-A1 PYRIMIDOPYRIMIDOINDAZOLE DERIVATIVE MSD K.K. (JP) 2012-05-31 US disclosed
EP-2401281-A1 PYRIMIDOPYRIMIDOINDAZOLE DERIVATIVE MSD K.K. (JP) 2012-01-04 EP disclosed
WO-2010098367-A1 PYRIMIDOPYRIMIDOINDAZOLE DERIVATIVE BANYU PHARMACEUTICAL CO.,LTD. (JP) 2010-09-02 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 (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-20120134955-A1 PYRIMIDOPYRIMIDOINDAZOLE DERIVATIVE WEE1, WEE2, DCK CARM1 2757/4885PRMT6 1659/4885HTR2A 4687/4885

“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.