SCHEMBL14247643

SCHEMBL14247643

CCOc1ccc(N2CCN(C(=O)c3nc4cc(F)ccc4[nH]3)CC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 3/20 0.53
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
DRD3 P35462 1/20 0.47
MAPT P10636 3/20 0.45
HRH3 Q9Y5N1 1/20 0.45
LMNA P02545 1/20 0.45
TSHR P16473 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
CCKAR P32238 3/20 0.44
POLB P06746 1/20 0.44
ALDH1A1 P00352 1/20 0.43

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
SCHEMBL15868599 0.91 HRH4 (0.51) HRH4MEN1KMT2ADRD3MAPT
SCHEMBL14247344 0.89 KMT2A (0.59) HRH4MEN1KMT2ADRD3MAPT
SCHEMBL14247798 0.86 HRH4 (0.53) HRH4MEN1KMT2AMAPTHRH3
SCHEMBL14247768 0.80 RAB9A (0.60) MEN1KMT2ADRD3MAPTLMNA
SCHEMBL603687 0.80 HRH4 (0.62) HRH4KMT2ADRD3HRH3
SCHEMBL602130 0.79 HRH4 (0.81) HRH4HRH3
SCHEMBL602139 0.75 HRH4 (0.60) HRH4HRH3
SCHEMBL15868573 0.73 CHEK2 (0.48) HRH4MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL15861666 0.72 MEN1 (0.43) HRH4MEN1KMT2ADRD3MAPT
SCHEMBL13175502 0.72 AKR1C3 (0.47)

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-20140194422-A1 PIPERAZINE DERIVATIVES, COMPOSITIONS, AND USES RELATED THERETO EMORY UNIVERSITY (US) 2014-07-10 US claimed
WO-2012173952-A1 PIPERAZINE DERIVATIVES, COMPOSITIONS, AND USES RELATED THERETO EMORY UNIVERSITY (US) 2012-12-20 WO claimed
US-9428478-B2 Piperazine derivatives, compositions, and uses related thereto EMORY UNIVERSITY (US) 2016-08-30 US disclosed
US-20140194422-A1 PIPERAZINE DERIVATIVES, COMPOSITIONS, AND USES RELATED THERETO EMORY UNIVERSITY (US) 2014-07-10 US disclosed
WO-2012173952-A1 PIPERAZINE DERIVATIVES, COMPOSITIONS, AND USES RELATED THERETO EMORY UNIVERSITY (US) 2012-12-20 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-20140194422-A1 PIPERAZINE DERIVATIVES, COMPOSITIONS, AND USES RELATED THERETO NOX4, NOX5, NOXO1 HRH4 2893/4885MEN1 4870/4885KMT2A 1210/4885

“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.