SCHEMBL10053231

SCHEMBL10053231

CCCN1CCN(c2ccccn2)CC1

nearest known ligand 0.73

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.64
POLB P06746 1/20 0.64
KDM4E B2RXH2 2/20 0.60
ALDH1A1 P00352 2/20 0.60
MAPT P10636 1/20 0.60
HTR1A P08908 6/20 0.59
HSD17B10 Q99714 1/20 0.58
DRD2 P14416 5/20 0.57
DRD4 P21917 4/20 0.57
HTR2A P28223 4/20 0.57
SIGMAR1 Q99720 1/20 0.57
HTR7 P34969 3/20 0.57
DRD3 P35462 3/20 0.57
ADRA2C P18825 2/20 0.57
DRD1 P21728 2/20 0.57
DRD5 P21918 2/20 0.57
HRH1 P35367 2/20 0.57

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
SCHEMBL28898801 0.95 KCNH2 (0.59) KCNH2POLBKDM4EALDH1A1MAPT
Propylamine SCHEMBL28972661 0.94 KCNH2 (0.58) KCNH2POLBKDM4EALDH1A1MAPT
SCHEMBL5572065 0.90 KCNH2 (0.69) KCNH2POLBHTR1ADRD2DRD4
SCHEMBL13711971 0.90 KCNH2 (0.71) KCNH2POLBALDH1A1HTR1ADRD2
SCHEMBL27715352 0.88 KCNH2 (0.74) KCNH2POLBHTR1ADRD2DRD4
SCHEMBL18301489 0.87 KCNH2 (0.64) KCNH2POLBKDM4EALDH1A1HTR1A
SCHEMBL3867807 0.86 KDM4E (0.64) KCNH2POLBKDM4EALDH1A1MAPT
SCHEMBL4519313 0.85 KCNH2 (0.85) KCNH2POLBHTR1ADRD2DRD4
SCHEMBL26108725 0.85 KCNH2 (0.85) KCNH2POLBHTR1ADRD2DRD4
SCHEMBL26107525 0.85 KCNH2 (0.85) KCNH2POLBHTR1ADRD2DRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10370340-B2 HIV replication inhibiting pyrimidines JANSSEN PHARMACEUTICA NV (BE) 2019-08-06 US disclosed
EP-1921077-B1 AGENT FOR TREATING AND/OR PREVENTING SLEEP DISORDER KYOWA HAKKO KIRIN CO LTD (JP) 2017-07-26 EP disclosed
US-8106031-B2 Hydrolytically-resistant boron-containing therapeutics and methods of use ANACOR PHARMACEUTICALS, INC. (US) 2012-01-31 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-10370340-B2 HIV replication inhibiting pyrimidines RRM2B, CCNO, RRM2 KCNH2 1547/4885POLB 50/4885KDM4E 2092/4885

“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.