SCHEMBL5458689

SCHEMBL5458689

CCCN1CCN(c2nccc(N)n2)CC1

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ACHE P22303 5/20 0.56
PTPN11 Q06124 1/20 0.48
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.46
DRD2 P14416 1/20 0.45
SIGMAR1 Q99720 1/20 0.45
OGA O60502 1/20 0.44
HRH3 Q9Y5N1 1/20 0.41

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
SCHEMBL29958994 0.82 HRH4 (0.56) ACHEOGAHRH3
SCHEMBL4948656 0.82 HRH4 (0.56) ACHEOGAHRH3
SCHEMBL5458684 0.81 OGA (0.44) ACHEPTPN11LMNAOGA
SCHEMBL4498304 0.79 OGA (0.48) ACHEMAPTOGA
SCHEMBL15740608 0.79 OGA (0.42) ACHELMNAOGA
SCHEMBL3910170 0.79 LMNA (0.57) ACHELMNAMAPTDRD2SIGMAR1
SCHEMBL4947574 0.77 KDM1A (0.48) ACHEOGA
SCHEMBL10187275 0.77 KDM1A (0.48) ACHEOGA
SCHEMBL9900073 0.75 KDM1A (0.47) ACHEOGA
SCHEMBL5452265 0.74 DRD2 (0.50) LMNADRD2SIGMAR1HRH3

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-20070037974-A1 Inhibitors of P2X3 ROCHE PALO ALTO LLC 2007-02-15 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-20070037974-A1 Inhibitors of P2X3 P2RX3, P2RX4, P2RX5 ACHE 1245/4885PTPN11 888/4885LMNA 3865/4885

“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.