SCHEMBL4801470

SCHEMBL4801470

CCOC(=O)c1cc2ccn(CCC3CCCCC3)c2cn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.47
CNR2 P34972 1/20 0.41
JAK1 P23458 1/20 0.41
GABRP O00591 2/20 0.41
GABRD O14764 2/20 0.41
GABRA1 P14867 2/20 0.41
GABRB1 P18505 2/20 0.41
GABRG2 P18507 2/20 0.41
GABRB3 P28472 2/20 0.41
GABRA5 P31644 2/20 0.41
GABRA3 P34903 2/20 0.41
GABRA2 P47869 2/20 0.41
GABRB2 P47870 2/20 0.41
GABRA4 P48169 2/20 0.41
GABRE P78334 2/20 0.41
GABRA6 Q16445 2/20 0.41
GABRG1 Q8N1C3 2/20 0.41
GABRG3 Q99928 2/20 0.41
GABRQ Q9UN88 2/20 0.41
LMNA P02545 1/20 0.40

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
SCHEMBL4806387 0.81 HDAC6 (0.42) JAK2LMNALCKKITSRC
SCHEMBL3973806 0.78 TSHR (0.49) CNR2GABRPGABRDGABRA1GABRB1
SCHEMBL2945382 0.74 MAOB (0.49) CNR2GABRPGABRDGABRA1GABRB1
SCHEMBL2943194 0.72 MAP3K5 (0.47) JAK2CNR2JAK1GABRPGABRD
SCHEMBL2945150 0.72 PPARG (0.47) CNR2GABRA2GABRB2ALDH1A1
SCHEMBL2952543 0.72 NPSR1 (0.43) CNR2GABRPGABRDGABRA1GABRB1
SCHEMBL16471709 0.71 CNR2 (0.47) CNR2GABRPGABRDGABRA1GABRB1
SCHEMBL2951231 0.71 ALDH1A1 (0.43) CNR2GABRPGABRDGABRA1GABRB1
SCHEMBL3971703 0.71 GABRA2 (0.54) CNR2GABRPGABRDGABRA1GABRB1
SCHEMBL15418023 0.70 MCL1 (0.45) CNR2GABRPGABRDGABRA1GABRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7468375-B2 Inhibitors of the HIV integrase enzyme PFIZER INC. (US) 2008-12-23 US disclosed
EP-1756103-A2 PYRROLOPYRIDINE DERIVATIVES AND THEIR USE AS HIV-INTEGRASE INHIBITORS Pfizer, Inc. (US) 2007-02-28 EP disclosed
US-20050277662-A1 Inhibitors of the HIV integrase enzyme AGOURON PHARMACEUTICALS, INC 2005-12-15 US disclosed
WO-2005103003-A2 PYRROLOPYRIDINE DERIVATIVES AND THEIR USE AS HIV-INTEGRASE INHIBITORS PFIZER INC. (US) 2005-11-03 WO 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-20050277662-A1 Inhibitors of the HIV integrase enzyme IMPDH1, INTS9, TYMP JAK2 3051/4885CNR2 4853/4885JAK1 1447/4885

“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.