SCHEMBL4870401

SCHEMBL4870401

O=C(NC1CC1)c1n[nH]c2c1CN(C(=O)O)CC2

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.55
RAB9A P51151 4/20 0.55
PIP5K1C O60331 2/20 0.44
CREBBP Q92793 5/20 0.40
EP300 Q09472 4/20 0.40
BRD4 O60885 2/20 0.40
RBP4 P02753 6/20 0.38
RIPK1 Q13546 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
SCHEMBL4795587 0.83 NPC1 (0.48) NPC1RAB9APIP5K1CRBP4
SCHEMBL5953472 0.81 HCAR2 (0.56) CREBBPEP300BRD4
SCHEMBL22395319 0.77 PIP5K1C (0.61) NPC1RAB9APIP5K1C
SCHEMBL22029695 0.74 CREBBP (0.42) CREBBPEP300BRD4RBP4
SCHEMBL4778041 0.73 NPC1 (0.60) NPC1RAB9A
SCHEMBL22395120 0.73 PIP5K1C (0.56) NPC1RAB9APIP5K1C
SCHEMBL20818349 0.72 CREBBP (0.44) CREBBPEP300BRD4
SCHEMBL17785675 0.72 CREBBP (0.47) PIP5K1CCREBBPEP300BRD4
SCHEMBL4761723 0.72 CREBBP (0.47) CREBBPEP300BRD4
SCHEMBL17785865 0.72 CREBBP (0.44) CREBBPEP300BRD4

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
EP-1991530-A1 CINNOLINE DERIVATIVES AS PHOSPHODIESTERASE 10 INHIBITORS Amgen Inc. (US) 2008-11-19 EP disclosed
US-20070287707-A1 Phosphodiesterase 10 inhibitors MEMORY PHARMACEUTICALS CORPORATION 2007-12-13 US disclosed
US-20070265256-A1 Phosphodiesterase 10 inhibitors AMGEN INC. 2007-11-15 US disclosed
WO-2007098169-A1 CINNOLINE DERIVATIVES AS PHOSPHODIESTERASE 10 INHIBITORS AMGEN INC. (US) 2007-08-30 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 (2 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-20070265256-A1 Phosphodiesterase 10 inhibitors PDE7A, PDE7B, PDE10A NPC1 1992/4885RAB9A 440/4885PIP5K1C 188/4885
US-20070287707-A1 Phosphodiesterase 10 inhibitors PDE7A, PDE7B, PDE10A NPC1 2050/4885RAB9A 593/4885PIP5K1C 325/4885

“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.