SCHEMBL5735461

SCHEMBL5735461

O=C(NCCN1CCN(Cc2ccccc2)CC1)Nc1ccnc2ccccc12

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.57
UTS2R Q9UKP6 9/20 0.55
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
ADRA2A P08913 1/20 0.53
DRD2 P14416 1/20 0.53
SLC6A2 P23975 1/20 0.53
HTR2A P28223 1/20 0.53
HTR2C P28335 1/20 0.53
SLC6A4 P31645 1/20 0.53
TMEM97 Q5BJF2 1/20 0.53
SIGMAR1 Q99720 1/20 0.53
HDAC8 Q9BY41 2/20 0.53
HRH3 Q9Y5N1 1/20 0.51
BCHE P06276 3/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50

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
SCHEMBL5735341 0.87 KMT2A (0.63) MAPTCA1CA2DRD2HDAC8
SCHEMBL5527306 0.87 HRH3 (0.68) UTS2RHDAC8HRH3MEN1KMT2A
SCHEMBL6198166 0.87 CCR3 (0.60) UTS2RSLC6A2SLC6A4MEN1KMT2A
SCHEMBL5734903 0.85 CA1 (0.57) CA1CA2KMT2A
SCHEMBL6198206 0.85 UTS2R (0.75) UTS2RADRA2ADRD2SLC6A2HTR2A
SCHEMBL5733269 0.85 CA1 (0.56) UTS2RCA1CA2ADRA2ADRD2
SCHEMBL6196354 0.83 DRD2 (0.53) UTS2RADRA2ADRD2SLC6A2HTR2A
SCHEMBL5737122 0.82 KMT2A (0.66) MAPTMEN1KMT2A
SCHEMBL5733134 0.82 KMT2A (0.57) MAPTUTS2RADRA2ADRD2SLC6A2
SCHEMBL6198960 0.82 CCR3 (0.48) UTS2RADRA2ADRD2SLC6A2HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060211707-A1 Piperazine-alkyl-ureido derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2006-09-21 US claimed
EP-1631565-A1 PIPERAZINE-ALKYL-UREIDO DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2006-03-08 EP claimed
WO-2004099179-A1 PIPERAZINE-ALKYL-UREIDO DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2004-11-18 WO claimed
US-20060211707-A1 Piperazine-alkyl-ureido derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2006-09-21 US disclosed
EP-1631565-A1 PIPERAZINE-ALKYL-UREIDO DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2006-03-08 EP disclosed
WO-2004099179-A1 PIPERAZINE-ALKYL-UREIDO DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2004-11-18 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-20060211707-A1 Piperazine-alkyl-ureido derivatives ADRA2C, UTS2R, ADRB2 MAPT 899/4885UTS2R 2/4885CA1 4712/4885

“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.