SCHEMBL4251573

SCHEMBL4251573

CCNN1CCN(c2ccc(OC)cc2)CC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.54
HTR3E A5X5Y0 1/20 0.53
HTR3B O95264 1/20 0.53
ADRB1 P08588 1/20 0.53
HTR3A P46098 1/20 0.53
HTR3D Q70Z44 1/20 0.53
HTR3C Q8WXA8 1/20 0.53
SIGMAR1 Q99720 1/20 0.53
KMT2A Q03164 4/20 0.51
RAB9A P51151 4/20 0.51
MAPT P10636 3/20 0.51
POLB P06746 2/20 0.51
HSD17B10 Q99714 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.49
LMNA P02545 1/20 0.49
TSHR P16473 1/20 0.49
ALDH1A1 P00352 3/20 0.48
GAA P10253 3/20 0.48
MEN1 O00255 3/20 0.48

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
SCHEMBL4252810 0.79 CHRNA7 (0.58) DRD2L3MBTL1HTR3EHTR3BADRB1
SCHEMBL12265056 0.77 DRD2 (0.65) DRD2L3MBTL1HTR3EHTR3BADRB1
SCHEMBL8353109 0.77 DRD2 (0.75) DRD2L3MBTL1HTR3EHTR3BADRB1
SCHEMBL8890453 0.75 GAA (0.69) DRD2L3MBTL1HTR3EHTR3BADRB1
SCHEMBL5915124 0.75 DRD2 (1.00) DRD2HTR3EHTR3BADRB1HTR3A
SCHEMBL6153220 0.74 ALDH1A1 (0.66) DRD2L3MBTL1HTR3EHTR3BADRB1
SCHEMBL424503 0.74 DRD2 (0.66) DRD2L3MBTL1HTR3EHTR3BADRB1
SCHEMBL14362730 0.74 HTR3E (0.63) DRD2L3MBTL1HTR3EHTR3BADRB1
SCHEMBL11070346 0.74 L3MBTL1 (0.63) L3MBTL1KMT2ARAB9AMAPTPOLB
SCHEMBL2925759 0.74 HTR3E (0.68) DRD2L3MBTL1HTR3EHTR3BADRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1757590-B1 Piperazinylalkylpyrazole derivatives useful as selective T-type calcium channel blockers and preparation method thereof KOREA INST SCI & TECH (KR) 2009-12-02 EP disclosed
US-7544686-B2 Piperazinylalkylpyrazole derivatives useful as selective T-type calcium channel blockers and preparation method thereof KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2009-06-09 US disclosed
US-20070049604-A1 Piperazinylalkylpyrazole derivatives useful as selective T-type calcium channel blockers and preparation method thereof KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2007-03-01 US disclosed
EP-1757590-A1 Piperazinylalkylpyrazole derivatives useful as selective T-type calcium channel blockers and preparation method thereof Korea Institute of Science and Technology (KR) 2007-02-28 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-20070049604-A1 Piperazinylalkylpyrazole derivatives useful as selective T-type calcium channel blockers and preparation method thereof CACNA1I, CACNA1G, CACNA1H DRD2 1498/4885L3MBTL1 4381/4885HTR3E 3752/4885

“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.