SCHEMBL4898196

SCHEMBL4898196

O=C(NCCc1ccccc1)Nc1ccc(F)cc1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.81
CNR1 P21554 6/20 0.74
NPC1 O15118 3/20 0.73
RAB9A P51151 3/20 0.73
SMN1; SMN2 Q16637 1/20 0.73
FPR2 P25090 1/20 0.68
EPHX1 P07099 2/20 0.68
HDAC1 Q13547 2/20 0.68
HDAC2 Q92769 2/20 0.68
CA2 P00918 2/20 0.66
ROCK2 O75116 1/20 0.66
ROCK1 Q13464 1/20 0.66
KDM4E B2RXH2 1/20 0.65
POLB P06746 1/20 0.63
MAOB P27338 1/20 0.63
CA12 O43570 1/20 0.61
CA1 P00915 1/20 0.61
CA9 Q16790 1/20 0.61
ALDH1A1 P00352 1/20 0.61
CYP1A2 P05177 1/20 0.61

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
SCHEMBL21045450 0.90 KMT2A (1.00) KMT2ACNR1NPC1RAB9ASMN1; SMN2
SCHEMBL4606056 0.89 EPHX1 (0.81) KMT2ACNR1NPC1RAB9ASMN1; SMN2
SCHEMBL19472643 0.86 CNR1 (0.76) KMT2ACNR1NPC1RAB9ASMN1; SMN2
SCHEMBL22834268 0.85 CNR1 (1.00) CNR1NPC1RAB9ASMN1; SMN2FPR2
SCHEMBL4638306 0.85 CNR1 (0.74) KMT2ACNR1NPC1RAB9ASMN1; SMN2
SCHEMBL16946646 0.85 CNR1 (0.74) KMT2ACNR1NPC1RAB9ASMN1; SMN2
SCHEMBL4894746 0.84 CNR1 (1.00) KMT2ACNR1NPC1RAB9ASMN1; SMN2
SCHEMBL10192078 0.84 ALDH1A1 (0.83) KMT2ACNR1NPC1RAB9ASMN1; SMN2
SCHEMBL4897395 0.84 CNR1 (0.74) KMT2ACNR1NPC1RAB9ASMN1; SMN2
SCHEMBL5516178 0.84 CNR1 (0.73) KMT2ACNR1NPC1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080009477-A1 Arylalkyl Ureas As Cb1 Antagonists NEUROGEN CORPORATION (US) 2008-01-10 US disclosed
US-20080009477-A1 Arylalkyl Ureas As Cb1 Antagonists NEUROGEN CORPORATION (US) 2008-01-10 US disclosed
US-20080009477-A1 Arylalkyl Ureas As Cb1 Antagonists NEUROGEN CORPORATION (US) 2008-01-10 US disclosed
EP-0720601-B1 GASTRIN AND CCK RECEPTOR LIGANDS BLACK JAMES FOUNDATION (GB) 2000-10-25 EP disclosed
US-5919829-A Gastrin and cck receptor ligands JAMES BLACK FOUNDATION LIMITED (GB) 1999-07-06 US disclosed
US-5795907-A Gastin and CCK receptor ligands JAMES BLACK FOUNDATION LIMITED (GB) 1998-08-18 US disclosed
EP-0720601-A1 GASTRIN AND CCK RECEPTOR LIGANDS JAMES BLACK FOUNDATION LIMITED (GB) 1996-07-10 EP disclosed
WO-1995004720-A2 GASTRIN AND CCK RECEPTOR LIGANDS BLACK JAMES FOUNDATION (GB) 1995-02-16 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-20080009477-A1 Arylalkyl Ureas As Cb1 Antagonists CNR1, CNR2, GPR119 KMT2A 1756/4885CNR1 1/4885NPC1 511/4885

“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.