SCHEMBL3593849

SCHEMBL3593849

CN1CCN(C2Cc3cccc([NH])c3NC2=O)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 12/20 0.41
DRD4 P21917 3/20 0.41
RAB9A P51151 3/20 0.39
HRH1 P35367 3/20 0.36
HTR2C P28335 3/20 0.36
TP53 P04637 2/20 0.36
CYP1A2 P05177 2/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2D6 P10635 2/20 0.36
CYP2C19 P33261 2/20 0.36
NPC1 O15118 2/20 0.36
MTOR P42345 2/20 0.36
TSHR P16473 1/20 0.36
NFKB1 P19838 1/20 0.36
THPO P40225 1/20 0.36
HIF1A Q16665 1/20 0.36
KCNK9 Q9NPC2 1/20 0.36
ALDH1A1 P00352 2/20 0.35
HTT P42858 2/20 0.35
LMNA P02545 1/20 0.35

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
SCHEMBL3595636 0.88 TSHR (0.46) DRD2DRD4RAB9ATSHRALDH1A1
SCHEMBL3595927 0.87 DRD2 (0.37) DRD2DRD4RAB9ATSHRALDH1A1
SCHEMBL3604098 0.86 DRD2 (0.39) DRD2DRD4RAB9ATSHRALDH1A1
SCHEMBL3599720 0.86 DRD2 (0.39) DRD2DRD4RAB9AHTR2CTP53
SCHEMBL3597119 0.85 ALDH1A1 (0.39) DRD2DRD4RAB9ATSHRALDH1A1
SCHEMBL3594128 0.85 POLB (0.39) DRD2DRD4RAB9ATP53CYP2C19
SCHEMBL3607360 0.84 KMT2A (0.37) DRD2DRD4RAB9ATSHRALDH1A1
SCHEMBL3593851 0.84 DRD2 (0.41) DRD2DRD4RAB9AHRH1HTR2C
SCHEMBL3599654 0.84 DRD2 (0.35) DRD2DRD4RAB9AALDH1A1HTR7
SCHEMBL3587495 0.81 DRD2 (0.44) DRD2DRD4RAB9ATSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100016285-A1 HETEROCYCLIDENE-N-(ARYL) ACETAMIDE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2010-01-21 US disclosed
EP-2128157-A1 HETEROCYCLIDENE-N-(ARYL)ACETAMIDE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2009-12-02 EP 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-20100016285-A1 HETEROCYCLIDENE-N-(ARYL) ACETAMIDE DERIVATIVE CCNY, CCND3, NSD3 DRD2 530/4885DRD4 795/4885RAB9A 2599/4885

“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.