SCHEMBL5748022

SCHEMBL5748022

O=C(NC1(CO)CCCC1)c1cc(F)cnc1Cl

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 6/20 0.48
▸ NTRK1 P04629 5/20 0.41
▸ JAK2 O60674 3/20 0.41
▸ DGAT2 Q96PD7 2/20 0.40
▸ P2RX7 Q99572 4/20 0.40
▸ CNR1 P21554 1/20 0.38
▸ AKR1C3 P42330 1/20 0.38
▸ ANO1 Q5XXA6 1/20 0.37

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
SCHEMBL3203185 0.73 CNR2 (0.47) CNR2ANO1
SCHEMBL5746951 0.73 PTGER4 (0.44) CNR2NTRK1JAK2DGAT2
SCHEMBL6897684 0.72 CTSL (0.40) CNR2DGAT2P2RX7CNR1
SCHEMBL6449651 0.72 NPC1 (0.37) NTRK1JAK2P2RX7
SCHEMBL5750463 0.71 PTGER4 (0.44) CNR2NTRK1JAK2
SCHEMBL3174715 0.69 NPC1 (0.58) —
SCHEMBL19480931 0.69 ALOX5AP (0.43) NTRK1JAK2
SCHEMBL2088153 0.68 CNR2 (0.47) CNR2
SCHEMBL29172982 0.68 CYP1A2 (0.38) NTRK1JAK2
SCHEMBL290570 0.67 KEAP1 (0.53) AKR1C3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7141586-B2 Nicotinamide derivatives useful as PDE4 inhibitors PFIZER INC. (US) 2006-11-28 — — US disclosed
EP-1651609-A1 NICOTINAMIDE DERIVATIVES USEFUL AS PDE4 INHIBITORS Pfizer Limited (GB) 2006-05-03 — — EP disclosed
US-20050032838-A1 Nicotinamide derivatives useful as PDE4 inhibitors PFIZER INC. 2005-02-10 — — US disclosed
WO-2005009966-A1 NICOTINAMIDE DERIVATIVES USEFUL AS PDE4 INHIBITORS PFIZER LIMITED (GB) 2005-02-03 — — WO disclosed
WO-2005009966-A1 NICOTINAMIDE DERIVATIVES USEFUL AS PDE4 INHIBITORS PFIZER LIMITED (GB) 2005-02-03 — — 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-20050032838-A1 Nicotinamide derivatives useful as PDE4 inhibitors CBR3, CBR1, PDE9A CNR2 88/4885NTRK1 1473/4885JAK2 4604/4885

“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.

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