SCHEMBL13149735

SCHEMBL13149735

Cc1cc(C(=O)N2CCN(CCCc3ccccc3)CC2)n(C)n1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 7/20 0.57
▸ KDM4E B2RXH2 4/20 0.54
▸ ALDH1A1 P00352 4/20 0.54
▸ MEN1 O00255 3/20 0.54
▸ KMT2A Q03164 3/20 0.54
▸ ALOX15 P16050 1/20 0.54
▸ FAAH O00519 1/20 0.52
▸ KCNH2 Q12809 1/20 0.51
▸ LMNA P02545 1/20 0.50
▸ OPRK1 P41145 1/20 0.49
▸ HTR2A P28223 1/20 0.49

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
SCHEMBL13149368 0.87 LMNA (0.56) KDM4EALDH1A1MEN1KMT2AALOX15
SCHEMBL13149845 0.80 ALDH1A1 (0.52) SIGMAR1ALDH1A1MEN1KMT2AKCNH2
SCHEMBL13149852 0.79 MEN1 (0.50) SIGMAR1ALDH1A1MEN1KMT2ALMNA
SCHEMBL13149714 0.77 EPHX2 (0.51) KDM4EALDH1A1MEN1KMT2AALOX15
SCHEMBL15961276 0.77 SIGMAR1 (0.91) SIGMAR1KDM4EALDH1A1MEN1KMT2A
SCHEMBL13149947 0.77 TSHR (0.61) SIGMAR1KDM4EALDH1A1MEN1KMT2A
SCHEMBL17695832 0.77 SIGMAR1 (0.76) SIGMAR1KDM4EALDH1A1MEN1KMT2A
SCHEMBL13149936 0.76 ALDH1A1 (0.55) SIGMAR1KDM4EALDH1A1MEN1KMT2A
SCHEMBL27564901 0.75 SIGMAR1 (0.73) SIGMAR1KDM4EALDH1A1MEN1KMT2A
SCHEMBL13242427 0.74 NR2E1 (0.53) ALDH1A1MEN1KMT2ALMNA

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 SIGMAR1 251/4885KDM4E 280/4885ALDH1A1 641/4885
US-20100234391-A1 N-SUBSTITUTED PIPERAZINES PRXL2A, CNPY2, CYP4X1 SIGMAR1 251/4885KDM4E 280/4885ALDH1A1 641/4885
US-20130072497-A1 N- SUBSTITUTED PIPERAZINES PRXL2A, CNPY2, CYP4X1 SIGMAR1 251/4885KDM4E 280/4885ALDH1A1 641/4885

“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.

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