SCHEMBL13149261

SCHEMBL13149261

CC(Oc1ccccc1)C(=O)N1CCN(c2ncccn2)CC1

nearest known ligand 0.76

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 4/20 0.65
▸ KDM4E B2RXH2 4/20 0.65
▸ ALDH1A1 P00352 4/20 0.65
▸ ALOX15 P16050 2/20 0.65
▸ KMT2A Q03164 2/20 0.65
▸ SLC6A7 Q99884 4/20 0.56
▸ TSHR P16473 2/20 0.56
▸ MAPK1 P28482 1/20 0.52
▸ RECQL P46063 1/20 0.52
▸ GAA P10253 2/20 0.51
▸ HPGD P15428 2/20 0.51
▸ MEN1 O00255 1/20 0.50
▸ LMNA P02545 1/20 0.50
▸ HTT P42858 1/20 0.50
▸ NPSR1 Q6W5P4 1/20 0.50

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
SCHEMBL11085914 0.82 HSD17B10 (0.65) HSD17B10KDM4EALDH1A1ALOX15KMT2A
SCHEMBL29516513 0.80 ALOX15 (0.63) HSD17B10KDM4EALDH1A1ALOX15KMT2A
SCHEMBL1911514 0.78 LMNA (0.56) HSD17B10KDM4EALDH1A1KMT2ASLC6A7
SCHEMBL14653103 0.76 ALOX15 (0.84) HSD17B10KDM4EALDH1A1ALOX15KMT2A
SCHEMBL16442332 0.76 ALOX15 (0.59) HSD17B10KDM4EALDH1A1ALOX15KMT2A
SCHEMBL14749138 0.76 LMNA (0.54) HSD17B10KDM4EALDH1A1KMT2ASLC6A7
SCHEMBL13149425 0.76 CHRM1 (0.56) HSD17B10KDM4EALDH1A1ALOX15KMT2A
SCHEMBL18135537 0.75 ALOX15 (0.54) HSD17B10KDM4EALDH1A1ALOX15KMT2A
SCHEMBL8033304 0.75 ALDH1A1 (0.63) HSD17B10ALDH1A1ALOX15KMT2ATSHR
SCHEMBL622875 0.74 HSD17B10 (0.53) HSD17B10KDM4EALDH1A1ALOX15KMT2A

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 HSD17B10 3294/4885KDM4E 280/4885ALDH1A1 641/4885
US-20100234391-A1 N-SUBSTITUTED PIPERAZINES PRXL2A, CNPY2, CYP4X1 HSD17B10 3294/4885KDM4E 280/4885ALDH1A1 641/4885
US-20130072497-A1 N- SUBSTITUTED PIPERAZINES PRXL2A, CNPY2, CYP4X1 HSD17B10 3294/4885KDM4E 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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