SCHEMBL13150784

SCHEMBL13150784

O=C(C1CC1)N1CCN(CCc2ccccc2)CC1

nearest known ligand 0.68

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.64
KMT2A Q03164 2/20 0.64
KCNH2 Q12809 1/20 0.64
ALDH1A1 P00352 3/20 0.62
BLM P54132 1/20 0.62
HTR2A P28223 1/20 0.61
USP2 O75604 1/20 0.60
CHRM3 P20309 2/20 0.59
HSD11B1 P28845 1/20 0.58
TSHR P16473 1/20 0.57
OPRM1 P35372 1/20 0.56
SIGMAR1 Q99720 1/20 0.55

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
SCHEMBL5080239 0.84 KMT2A (0.78) MEN1KMT2AALDH1A1TSHR
SCHEMBL14456764 0.84 MEN1 (0.64) MEN1KMT2AALDH1A1TSHR
SCHEMBL2927709 0.82 MEN1 (0.73) MEN1KMT2AKCNH2CHRM3HSD11B1
SCHEMBL27552111 0.82 MEN1 (0.73) MEN1KMT2AKCNH2CHRM3HSD11B1
SCHEMBL12642503 0.82 TDP1 (0.52) MEN1KMT2AKCNH2ALDH1A1BLM
SCHEMBL9363566 0.80 KMT2A (0.54) MEN1KMT2AKCNH2ALDH1A1BLM
SCHEMBL9363541 0.80 KMT2A (0.54) MEN1KMT2AKCNH2ALDH1A1BLM
SCHEMBL5524549 0.80 MEN1 (0.69) MEN1KMT2AKCNH2CHRM3HSD11B1
SCHEMBL17275260 0.80 MEN1 (0.69) MEN1KMT2AKCNH2CHRM3HSD11B1
SCHEMBL1519356 0.80 HTR2A (0.75) HTR2AOPRM1SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130072497-A1 N- SUBSTITUTED PIPERAZINES DOW AGROSCIENCES LLC (US) 2013-03-21 US disclosed
US-20130072497-A1 N- SUBSTITUTED PIPERAZINES DOW AGROSCIENCES LLC (US) 2013-03-21 US disclosed
US-8338430-B2 N-substituted piperazines DOW AGROSCIENCES, LLC. (US) 2012-12-25 US disclosed
US-8338430-B2 N-substituted piperazines DOW AGROSCIENCES, LLC. (US) 2012-12-25 US disclosed
US-20100234391-A1 N-SUBSTITUTED PIPERAZINES DOW AGROSCIENCES LLC (US) 2010-09-16 US disclosed
US-20100234391-A1 N-SUBSTITUTED PIPERAZINES DOW AGROSCIENCES LLC (US) 2010-09-16 US disclosed
US-7754724-B2 N-substituted piperazines DOW AGROSCIENCES LLC (US) 2010-07-13 US disclosed
US-7754724-B2 N-substituted piperazines DOW AGROSCIENCES LLC (US) 2010-07-13 US disclosed
US-20070004750-A1 N-substituted piperazines CORTEVA AGRISCIENCE LLC 2007-01-04 US disclosed
US-20070004750-A1 N-substituted piperazines CORTEVA AGRISCIENCE LLC 2007-01-04 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 (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-20070004750-A1 N-substituted piperazines PRXL2A, CNPY2, CYP4X1 MEN1 3085/4885KMT2A 558/4885KCNH2 87/4885
US-20100234391-A1 N-SUBSTITUTED PIPERAZINES PRXL2A, CNPY2, CYP4X1 MEN1 3085/4885KMT2A 558/4885KCNH2 87/4885
US-20130072497-A1 N- SUBSTITUTED PIPERAZINES PRXL2A, CNPY2, CYP4X1 MEN1 3085/4885KMT2A 558/4885KCNH2 87/4885

“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.