SCHEMBL5956417

SCHEMBL5956417

O=C(Nc1ccccc1-c1ccccc1)N1CCNCC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.61
CHRM3 P20309 4/20 0.54
CHRM2 P08172 3/20 0.51
CHRM1 P11229 3/20 0.51
ALDH1A1 P00352 6/20 0.50
ABCC1 P33527 1/20 0.50
NPY5R Q15761 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.48
MAPT P10636 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2D6 P10635 1/20 0.48
SIGMAR1 Q99720 1/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
GAA P10253 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
SMO Q99835 1/20 0.47
CYP2C9 P11712 1/20 0.47
HPGD P15428 1/20 0.47
HTR1A P08908 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
SCHEMBL9517197 0.89 ALDH1A1 (0.56) POLBCHRM3CHRM2CHRM1ALDH1A1
SCHEMBL14582622 0.81 ABCC1 (0.74) POLBALDH1A1ABCC1SMN1; SMN2CYP2D6
SCHEMBL669694 0.79 POLB (0.60) POLBABCC1SMN1; SMN2MEN1KMT2A
SCHEMBL1221514 0.79 POLB (0.60) POLBALDH1A1ABCC1SMN1; SMN2KMT2A
SCHEMBL30576775 0.79 POLB (0.60) POLBABCC1SMN1; SMN2MEN1KMT2A
SCHEMBL7320026 0.79 POLB (0.79) POLBALDH1A1SMN1; SMN2MAPTCYP1A2
SCHEMBL656655 0.78 POLB (0.97) POLBALDH1A1SMN1; SMN2MAPTCYP1A2
SCHEMBL3757381 0.77 POLB (0.48) POLBALDH1A1ABCC1SMN1; SMN2CYP1A2
SCHEMBL2384053 0.77 KDM4E (0.70) POLBALDH1A1CYP1A2CYP2D6KMT2A
SCHEMBL30576787 0.77 TAAR1 (0.61) POLBALDH1A1ABCC1MAPTMEN1

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 1 patent. 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 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 POLB 4344/4885CHRM3 221/4885CHRM2 294/4885

“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.