SCHEMBL4895091

SCHEMBL4895091

COc1ccc(-c2nccs2)nc1Nc1ccc(N2CCN(Cc3ccccc3)CCC2=O)cn1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 6/20 0.37
HCRTR2 O43614 6/20 0.37
DRD2 P14416 1/20 0.36
DRD4 P21917 1/20 0.36
DRD3 P35462 1/20 0.36
P2RX7 Q99572 1/20 0.36
KDM6B O15054 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
ALDH1A1 P00352 2/20 0.35
PKM P14618 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.34
GAA P10253 1/20 0.34
LMNA P02545 2/20 0.34
HRH1 P35367 1/20 0.34
SCN1A P35498 1/20 0.34
SCN8A Q9UQD0 1/20 0.34
CDK4 P11802 1/20 0.34
CCND1 P24385 1/20 0.34
CCND3 P30281 1/20 0.34
CDK6 Q00534 1/20 0.34

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 SCHEMBL4892348 0.93 HCRTR1 (0.36) HCRTR1HCRTR2DRD2DRD4DRD3
Hydrochloric Acid SCHEMBL4901103 0.86 CCND3 (0.37) HCRTR1HCRTR2CDK4CCND1CCND3
SCHEMBL4896616 0.85 HCRTR1 (0.41) HCRTR1HCRTR2P2RX7KDM6BALDH1A1
SCHEMBL4899702 0.84 HCRTR1 (0.40) HCRTR1HCRTR2KDM6BCDK4CCND3
Hydrochloric Acid SCHEMBL5257872 0.83 HCRTR1 (0.40) HCRTR1HCRTR2KDM6BCDK4CCND3
SCHEMBL4904908 0.82 PTK2 (0.38) HCRTR1HCRTR2KDM6BALDH1A1CDK4
Hydrochloric Acid SCHEMBL4895695 0.81 CDK4 (0.36) HCRTR1HCRTR2CDK4CCND1CCND3
Hydrochloric Acid SCHEMBL4902615 0.79 MAP4K1 (0.38) HCRTR1HCRTR2KDM6BCDK4CCND1
SCHEMBL4891073 0.76 CTSC (0.40) CDK4CCND1CCND3CDK6NPC1
SCHEMBL4894058 0.75 CTSC (0.40) CDK4CCND1CCND3CDK6

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-20080108600-A1 Polycyclic Pyridines as Potassium Ion Channel Modulators ICAGEN, INC. (US) 2008-05-08 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-20080108600-A1 Polycyclic Pyridines as Potassium Ion Channel Modulators KCNJ2, KCNH2, KCNQ1 HCRTR1 2726/4885HCRTR2 1689/4885DRD2 2025/4885

“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.