SCHEMBL15401924

SCHEMBL15401924

O=C(Oc1ccc[c]c1-n1cccn1)C1CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
RAB9A P51151 1/20 0.41
CYP46A1 Q9Y6A2 1/20 0.35
ADORA2A P29274 1/20 0.35
ADORA2B P29275 1/20 0.35
ESR1 P03372 1/20 0.35
ESR2 Q92731 1/20 0.35
POLB P06746 1/20 0.34
GPR119 Q8TDV5 1/20 0.33
ELANE P08246 1/20 0.33
HDAC4 P56524 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
HCRTR1 O43613 1/20 0.32
HCRTR2 O43614 1/20 0.32
LMNA P02545 1/20 0.32
HPGD P15428 1/20 0.31

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
SCHEMBL15401925 0.80 CYP46A1 (0.40) L3MBTL1KMT2AMEN1RAB9ACYP46A1
SCHEMBL28553753 0.74 CYP1A2 (0.38) KMT2AMEN1RAB9AHCRTR1HCRTR2
SCHEMBL27694872 0.72 KMT2A (0.50) L3MBTL1KMT2AADORA2AADORA2BPOLB
SCHEMBL20973018 0.69 NOTUM (0.46) KMT2AMEN1ADORA2AELANELMNA
SCHEMBL16756212 0.67 L3MBTL1 (0.70) L3MBTL1KMT2AMEN1RAB9AESR1
SCHEMBL1586320 0.66 NOTUM (0.38) KMT2AMEN1RAB9AELANELMNA
SCHEMBL1586140 0.66 NOTUM (0.38) L3MBTL1KMT2AMEN1HTTSMN1; SMN2
SCHEMBL23931559 0.64 ADORA2A (0.34) L3MBTL1KMT2AMEN1RAB9AADORA2A
SCHEMBL11827378 0.63 KMT2A (0.80) L3MBTL1KMT2AMEN1RAB9AESR1
SCHEMBL20744830 0.63 ESR1 (0.53) L3MBTL1KMT2AMEN1RAB9AESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9975889-B2 Heteroaryl piperidine and heteroaryl piperazine derivatives as fungicides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2018-05-22 US disclosed
US-9914728-B2 Heteroaryl piperidine and heteroaryl piperazine derivatives as fungicides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2018-03-13 US disclosed
US-20170044153-A1 HETEROARYL PIPERIDINE AND HETEROARYL PIPERAZINE DERIVATIVES AS FUNGICIDES BAYER INTELLECTUAL PROPERTY GMBH 2017-02-16 US disclosed
US-20170044154-A1 HETEROARYL PIPERIDINE AND HETEROARYL PIPERAZINE DERIVATIVES AS FUNGICIDES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2017-02-16 US disclosed
US-20140005224-A1 HETEROARYL PIPERIDINE AND HETEROARYL PIPERAZINE DERIVATIVES AS FUNGICIDES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-01-02 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-20170044154-A1 HETEROARYL PIPERIDINE AND HETEROARYL PIPERAZINE DERIVATIVES AS FUNGICIDES PRXL2A, CYP1A1, CAT L3MBTL1 2120/4885KMT2A 854/4885MEN1 2086/4885
US-20170044153-A1 HETEROARYL PIPERIDINE AND HETEROARYL PIPERAZINE DERIVATIVES AS FUNGICIDES PRXL2A, CYP1A1, CAT L3MBTL1 2120/4885KMT2A 854/4885MEN1 2086/4885
US-20140005224-A1 HETEROARYL PIPERIDINE AND HETEROARYL PIPERAZINE DERIVATIVES AS FUNGICIDES PRXL2A, CYP1A1, CAT L3MBTL1 2120/4885KMT2A 854/4885MEN1 2086/4885

“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.