SCHEMBL4378916

SCHEMBL4378916

O=C1CN=C(c2ccccc2)c2cc(C(O)c3ccc(Cl)cc3)ccc2N1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 2/20 0.72
CNR1 P21554 1/20 0.72
NTSR1 P30989 1/20 0.72
OPRK1 P41145 1/20 0.72
GABRA1 P14867 6/20 0.56
GABRA5 P31644 6/20 0.56
GABRA3 P34903 6/20 0.56
GABRA2 P47869 6/20 0.56
GABRB2 P47870 6/20 0.56
GABRG2 P18507 4/20 0.56
GABRB3 P28472 4/20 0.56
GABRP O00591 3/20 0.55
GABRD O14764 3/20 0.55
GABRB1 P18505 3/20 0.55
GABRA4 P48169 3/20 0.55
GABRE P78334 3/20 0.55
GABRA6 Q16445 3/20 0.55
GABRG1 Q8N1C3 3/20 0.55
GABRG3 Q99928 3/20 0.55
GABRQ Q9UN88 3/20 0.55

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
SCHEMBL4371914 0.88 PDE4D (0.74) PDE4DCNR1NTSR1OPRK1GABRA1
Nordazepam SCHEMBL29354494 0.84 PDE4D (1.00) PDE4DCNR1NTSR1OPRK1GABRA1
Nordazepam SCHEMBL8090999 0.84 PDE4D (1.00) PDE4DCNR1NTSR1OPRK1GABRA1
Nordazepam SCHEMBL31000330 0.84 PDE4D (1.00) PDE4DCNR1NTSR1OPRK1GABRA1
Nordazepam SCHEMBL78453 0.84 PDE4D (1.00) PDE4DCNR1NTSR1OPRK1GABRA1
SCHEMBL4373660 0.81 PDE4D (0.74) PDE4DCNR1NTSR1OPRK1GABRA1
SCHEMBL9654207 0.80 PDE4D (0.61) PDE4DCNR1NTSR1OPRK1GABRA1
SCHEMBL4371135 0.79 CNR1 (0.64) PDE4DCNR1NTSR1OPRK1GABRA1
SCHEMBL10770717 0.79 PDE4D (0.63) PDE4DCNR1NTSR1OPRK1GABRA1
SCHEMBL21129434 0.77 PDE4D (0.68) PDE4DCNR1NTSR1OPRK1GABRA1

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
EP-1339709-B1 FARNESYL TRANSFERASE INHIBITING BENZOHETEROCYCLIC DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2009-06-24 EP disclosed
US-7153958-B2 Farnesyl transferase inhibiting benzoheterocyclic derivatives JANSSEN PHARMACEUTICA N.V. (BE) 2006-12-26 US disclosed
US-20040034218-A1 Farnesyl transferase inhibiting benzoheterocyclic derivatives JANSSEN PHARMACEUTICA N.V. (BE) 2004-02-19 US disclosed
EP-1339709-A1 FARNESYL TRANSFERASE INHIBITING BENZOHETEROCYCLIC DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2003-09-03 EP disclosed
WO-2002042296-A1 FARNESYL TRANSFERASE INHIBITING BENZOHETEROCYCLIC DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2002-05-30 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 (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-20040034218-A1 Farnesyl transferase inhibiting benzoheterocyclic derivatives FNTA, FNTB, RCE1 PDE4D 4099/4885CNR1 2003/4885NTSR1 2621/4885

“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.