SCHEMBL4249373

SCHEMBL4249373

CCCNN1CCN(c2cccc(C)c2C)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.56
MAPK1 P28482 1/20 0.56
ALDH1A1 P00352 7/20 0.52
MAPT P10636 3/20 0.52
ADRB1 P08588 1/20 0.51
LMNA P02545 3/20 0.50
HPGD P15428 2/20 0.50
NPSR1 Q6W5P4 1/20 0.50
GAA P10253 1/20 0.50
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
DRD2 P14416 1/20 0.47
ADRA1A P35348 1/20 0.47
DRD3 P35462 1/20 0.47
KDM4E B2RXH2 2/20 0.47
ALOX15 P16050 1/20 0.47
HSD17B10 Q99714 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
POLB P06746 1/20 0.46

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
SCHEMBL4245533 0.88 TSHR (0.59) TSHRMAPK1ALDH1A1MAPTADRB1
SCHEMBL8828572 0.88 ADRB1 (0.49) TSHRMAPK1ALDH1A1MAPTADRB1
SCHEMBL8828457 0.83 ALDH1A1 (0.43) TSHRMAPK1ALDH1A1MAPTLMNA
SCHEMBL11067105 0.80 ADRB1 (0.74) TSHRMAPK1ALDH1A1MAPTADRB1
SCHEMBL8828451 0.78 DRD2 (0.45) TSHRALDH1A1LMNANPSR1KMT2A
SCHEMBL27410085 0.78 HTR1A (0.50) TSHRALDH1A1LMNAHPGDDRD2
SCHEMBL8828393 0.77 HSD17B10 (0.55) TSHRALDH1A1MAPTLMNANPSR1
SCHEMBL14793426 0.76 ALDH1A1 (0.68) TSHRMAPK1ALDH1A1MAPTADRB1
SCHEMBL8828348 0.76 BRD9 (0.40) ALDH1A1LMNADRD2DRD3KDM4E
SCHEMBL13087951 0.76 GAA (0.65) TSHRMAPK1ALDH1A1MAPTADRB1

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
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
US-5688795-A URINARY TRACTS OBSTRUCTION SYNTEX (U.S.A.) INC. (US) 1997-11-18 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 (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 TSHR 1775/4885MAPK1 1570/4885ALDH1A1 2701/4885

“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.