SCHEMBL4253103

SCHEMBL4253103

Cc1ccc(N2CCN(CCN)CC2)c(C)c1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.60
HTR1A P08908 1/20 0.54
MAPT P10636 2/20 0.51
GAA P10253 1/20 0.51
RAD52 P43351 1/20 0.51
GFER P55789 1/20 0.51
DRD2 P14416 7/20 0.51
DRD4 P21917 5/20 0.51
IGF1R P08069 1/20 0.51
HTR7 P34969 1/20 0.51
MCOLN3 Q8TDD5 1/20 0.49
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 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
SCHEMBL3187557 0.89 MEN1 (0.51) ALDH1A1HTR1AMAPTGAARAD52
SCHEMBL5186020 0.88 KCNH2 (0.51) ALDH1A1HTR1AMAPTGAARAD52
SCHEMBL15872034 0.83 ALDH1A1 (0.63) ALDH1A1HTR1AMAPTDRD2DRD4
SCHEMBL11960837 0.81 MAPT (0.69) ALDH1A1HTR1AMAPTGAARAD52
SCHEMBL10730439 0.80 ALDH1A1 (0.63) ALDH1A1HTR1ADRD2HTR7MEN1
SCHEMBL3187550 0.80 DRD2 (0.56) ALDH1A1HTR1ADRD2DRD4IGF1R
SCHEMBL7923952 0.79 HTR1A (0.58) ALDH1A1HTR1AMAPTGAADRD2
SCHEMBL5010587 0.79 HTT (0.56) ALDH1A1HTR1ADRD2DRD4IGF1R
SCHEMBL14228584 0.79 HTR7 (0.50) HTR1AMAPTGAARAD52GFER
SCHEMBL7597607 0.78 MEN1 (0.67) ALDH1A1HTR1AMAPTDRD2DRD4

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
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
EP-1325917-B1 Radiolabelled alkylamino-benzothiazole and -benzoxazole derivatives and their use as D4 ligands JANSSEN PHARMACEUTICA NV (BE) 2007-01-03 EP disclosed
EP-0912533-B1 ALKYLAMINOBENZOTHIAZOLE AND -BENZOXAZOLE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2004-09-29 EP disclosed
EP-1325917-A1 Radiolabelled alkylamino-benzothiazole and -benzoxazole derivatives and their use as D4 ligands JANSSEN PHARMACEUTICA N.V. (BE) 2003-07-09 EP disclosed
US-6224849-B1 Alkylaminobenzothiazole and-benzoxazole derivatives JANSSEN PHARMACEUTICA N.V. (BE) 2001-05-01 US disclosed
EP-0912533-A1 ALKYLAMINOBENZOTHIAZOLE AND -BENZOXAZOLE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 1999-05-06 EP disclosed
WO-1997043271-A1 ALKYLAMINOBENZOTHIAZOLE AND -BENZOXAZOLE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 1997-11-20 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-20070049604-A1 Piperazinylalkylpyrazole derivatives useful as selective T-type calcium channel blockers and preparation method thereof CACNA1I, CACNA1G, CACNA1H ALDH1A1 2701/4885HTR1A 1924/4885MAPT 2721/4885

“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.