SCHEMBL5956401

SCHEMBL5956401

O=C(Nc1ccc2ccccc2c1)N1CCNCC1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.66
KDM4E B2RXH2 4/20 0.53
MAPT P10636 3/20 0.53
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
FAAH O00519 2/20 0.52
HSD17B10 Q99714 2/20 0.52
NPSR1 Q6W5P4 1/20 0.52
CYP1A2 P05177 3/20 0.51
CYP2D6 P10635 2/20 0.51
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
NAMPT P43490 1/20 0.49
CYP2C19 P33261 3/20 0.48
USP2 O75604 2/20 0.48
ALDH1A1 P00352 2/20 0.48
TP53 P04637 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
PKM P14618 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
Hydrochloric Acid SCHEMBL5492077 0.99 POLB (0.68) POLBKDM4EMAPTMEN1KMT2A
SCHEMBL9188898 0.89 FAAH (0.62) POLBKDM4EMAPTMEN1KMT2A
SCHEMBL6852416 0.86 KDM4E (0.62) KDM4EMAPTMEN1KMT2AL3MBTL1
SCHEMBL830749 0.85 RAB9A (0.64) KDM4EMEN1KMT2AHSD17B10NPSR1
SCHEMBL656655 0.81 POLB (0.97) POLBKDM4EMAPTFAAHNPSR1
SCHEMBL7504156 0.80 POLB (0.93) POLBKDM4EMAPTFAAHNPSR1
Hydrochloric Acid SCHEMBL3851668 0.80 POLB (1.00) POLBKDM4EMAPTFAAHNPSR1
Hydrochloric Acid SCHEMBL31267730 0.79 KDM4E (0.56) POLBKDM4EFAAHNAMPT
SCHEMBL7301886 0.79 KDM4E (0.57) POLBKDM4EMAPTMEN1KMT2A
SCHEMBL4729692 0.79 MEN1 (0.49) POLBKDM4EMAPTMEN1KMT2A

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 4344/4885KDM4E 1924/4885MAPT 899/4885

“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.