SCHEMBL4249377

SCHEMBL4249377

Cc1cccc(N2CCN(CCCN)CC2)c1C

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.63
MEN1 O00255 1/20 0.63
KMT2A Q03164 1/20 0.63
HPGD P15428 2/20 0.57
GAA P10253 1/20 0.57
DRD2 P14416 4/20 0.56
ADRA1A P35348 3/20 0.56
DRD3 P35462 3/20 0.56
CYP2D6 P10635 1/20 0.54
TSHR P16473 1/20 0.52
MAPK1 P28482 1/20 0.52
KDM4E B2RXH2 1/20 0.52
POLB P06746 1/20 0.52
ADRB1 P08588 1/20 0.51
TP53 P04637 1/20 0.51
MAPT P10636 1/20 0.51
HTR1A P08908 2/20 0.51
HTR2A P28223 2/20 0.51
HTR2C P28335 2/20 0.51
DRD1 P21728 1/20 0.51

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
Hydrochloric Acid SCHEMBL12099351 0.98 ALDH1A1 (0.62) ALDH1A1MEN1KMT2AHPGDGAA
SCHEMBL3198516 0.95 ALDH1A1 (0.62) ALDH1A1MEN1KMT2AHPGDGAA
SCHEMBL4245536 0.91 ALDH1A1 (0.67) ALDH1A1MEN1KMT2AHPGDGAA
SCHEMBL8828565 0.88 CYP2D6 (0.61) ALDH1A1MEN1KMT2ADRD2ADRA1A
SCHEMBL10559204 0.85 ALDH1A1 (0.63) ALDH1A1MEN1KMT2AHPGDGAA
SCHEMBL29785718 0.85 ALDH1A1 (0.63) ALDH1A1MEN1KMT2AHPGDGAA
SCHEMBL3200107 0.83 ADRA1B (0.60) ALDH1A1DRD2ADRA1ADRD3CYP2D6
SCHEMBL3198507 0.83 ALDH1A1 (0.58) ALDH1A1MEN1KMT2AHPGDGAA
SCHEMBL6291668 0.83 CYP2D6 (0.58) ALDH1A1MEN1KMT2AGAACYP2D6
SCHEMBL14793426 0.83 ALDH1A1 (0.68) ALDH1A1MEN1KMT2AHPGDGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8895558-B2 Arylpiperazine-containing pyrrole 3-carboxamide derivatives for treating depressive disorders GREEN CROSS CORPORATION (KR) 2014-11-25 US disclosed
US-8895558-B2 Arylpiperazine-containing pyrrole 3-carboxamide derivatives for treating depressive disorders GREEN CROSS CORPORATION (KR) 2014-11-25 US disclosed
US-8785453-B2 Arylpiperazine-containing purine derivatives and uses thereof GREEN CROSS CORPORATION (KR) 2014-07-22 US disclosed
US-8785453-B2 Arylpiperazine-containing purine derivatives and uses thereof GREEN CROSS CORPORATION (KR) 2014-07-22 US disclosed
US-20120232090-A1 ARYLPIPERAZINE-CONTAINING PURINE DERIVATIVES AND USES THEREOF GREEN CROSS CORPORATION (KR) 2012-09-13 US disclosed
US-20120232090-A1 ARYLPIPERAZINE-CONTAINING PURINE DERIVATIVES AND USES THEREOF GREEN CROSS CORPORATION (KR) 2012-09-13 US disclosed
US-20110178091-A1 ARYLPIPERAZINE-CONTAINING PYRROLE 3-CARBOXAMIDE DERIVATIVES FOR TREATING DEPRESSIVE DISORDERS GREEN CROSS CORPORATION (KR) 2011-07-21 US disclosed
US-20110178091-A1 ARYLPIPERAZINE-CONTAINING PYRROLE 3-CARBOXAMIDE DERIVATIVES FOR TREATING DEPRESSIVE DISORDERS GREEN CROSS CORPORATION (KR) 2011-07-21 US disclosed
WO-2011059207-A2 ARYLPIPERAZINE-CONTAINING PURINE DERIVATIVES AND USES THEREOF GREEN CROSS CORPORATION (KR) 2011-05-19 WO disclosed
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
EP-0711757-A1 3-(4-phenylpiperazin-1-yl)propyl-amino, thio and oxy -pyridine, pyrimidine and benzene derivatives as alpha1-adrenoceptor antagonists F. Hoffmann-La Roche AG (CH) 1996-05-15 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 (3 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-20110178091-A1 ARYLPIPERAZINE-CONTAINING PYRROLE 3-CARBOXAMIDE DERIVATIVES FOR TREATING DEPRESSIVE DISORDERS NPY5R, TPH2, MC5R ALDH1A1 464/4885MEN1 4821/4885KMT2A 550/4885
US-20120232090-A1 ARYLPIPERAZINE-CONTAINING PURINE DERIVATIVES AND USES THEREOF ADORA2A, P2RX5, PNP ALDH1A1 651/4885MEN1 4836/4885KMT2A 2363/4885
US-20070049604-A1 Piperazinylalkylpyrazole derivatives useful as selective T-type calcium channel blockers and preparation method thereof CACNA1I, CACNA1G, CACNA1H ALDH1A1 2701/4885MEN1 2779/4885KMT2A 4312/4885

“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.