SCHEMBL13648899

SCHEMBL13648899

O=C(c1ccc(N2CCN(C3CC3)CC2)nc1)N1CCCC1

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.64
KDM4E B2RXH2 1/20 0.64
POLB P06746 1/20 0.64
HPGD P15428 1/20 0.64
ALOX15 P16050 1/20 0.64
HSD17B10 Q99714 1/20 0.64
L3MBTL3 Q96JM7 7/20 0.61
L3MBTL1 Q9Y468 6/20 0.61
ADRA1A P35348 4/20 0.58
HRH3 Q9Y5N1 7/20 0.56
MBTD1 Q05BQ5 4/20 0.55
TP53BP1 Q12888 1/20 0.55
L3MBTL4 Q8NA19 1/20 0.55

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 SCHEMBL3971039 0.99 ALDH1A1 (0.63) ALDH1A1KDM4EPOLBHPGDALOX15
SCHEMBL13648890 0.99 ALDH1A1 (0.67) ALDH1A1KDM4EPOLBHPGDALOX15
Hydrochloric Acid SCHEMBL3977312 0.97 ALDH1A1 (0.65) ALDH1A1KDM4EPOLBHPGDALOX15
SCHEMBL3975118 0.95 ALDH1A1 (0.65) ALDH1A1KDM4EPOLBHPGDALOX15
Hydrochloric Acid SCHEMBL3972227 0.94 ALDH1A1 (0.64) ALDH1A1KDM4EPOLBHPGDALOX15
SCHEMBL1744106 0.89 ALDH1A1 (0.55) ALDH1A1KDM4EPOLBHPGDALOX15
SCHEMBL4433768 0.88 ADRA1A (0.57) ALDH1A1KDM4EPOLBHPGDALOX15
SCHEMBL4140037 0.87 ALDH1A1 (0.59) ALDH1A1KDM4EPOLBHPGDALOX15
SCHEMBL4130774 0.87 ALDH1A1 (0.59) ALDH1A1KDM4EPOLBHPGDALOX15
SCHEMBL13648886 0.87 HDAC1 (0.61) ALDH1A1KDM4EPOLBHPGDALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090264435-A1 Novel Aryl- and Heteroarylpiperazines HIGH POINT PHARMACEUTICALS, LLC (US) 2009-10-22 US disclosed
US-20090264435-A1 Novel Aryl- and Heteroarylpiperazines HIGH POINT PHARMACEUTICALS, LLC (US) 2009-10-22 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-20090264435-A1 Novel Aryl- and Heteroarylpiperazines HRH3, HRH2, HRH4 ALDH1A1 2719/4885KDM4E 1574/4885POLB 4110/4885

“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.