SCHEMBL5391817

SCHEMBL5391817

Cc1nnc(Nc2cc[c]cc2)c2ccccc12

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 4/20 0.58
POLB P06746 3/20 0.58
ENPP3 O14638 1/20 0.58
CA2 P00918 1/20 0.58
CA9 Q16790 1/20 0.58
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
ALOX15 P16050 1/20 0.52
HSD17B10 Q99714 1/20 0.52
HPGD P15428 2/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
ALDH1A1 P00352 1/20 0.52
PKM P14618 1/20 0.52
GAA P10253 3/20 0.49
L3MBTL1 Q9Y468 1/20 0.44
GPR174 Q9BXC1 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL3759465 0.78 KDR (0.64) RXFP1POLBENPP3CA2CA9
SCHEMBL25861219 0.72 ALDH1A1 (0.58) RXFP1POLBENPP3CA2CA9
SCHEMBL4075273 0.71 POLB (0.68) RXFP1POLBENPP3CA2CA9
SCHEMBL7413898 0.71 ALDH1A1 (0.75) RXFP1POLBENPP3CA2CA9
SCHEMBL89446 0.71 SMN1; SMN2 (0.58) RXFP1POLBENPP3CA2CA9
SCHEMBL13909892 0.69 NPC1 (0.54) RXFP1POLBENPP3CA2CA9
Ammonia Solution, Strong SCHEMBL27658861 0.69 SMN1; SMN2 (0.56) RXFP1POLBENPP3CA2CA9
SCHEMBL7918566 0.66 ENPP3 (0.76) POLBENPP3HPGDMEN1KMT2A
SCHEMBL7905029 0.65 NPSR1 (0.73) POLBENPP3ALOX15HSD17B10HPGD
SCHEMBL7904940 0.65 ENPP3 (0.70) POLBENPP3NPC1RAB9AALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070066614-A1 Ihibitors of 11-beta-hydroxy steroid dehydrogenase type 1 BIOVITRUM AB 2007-03-22 US claimed
US-7173030-B2 Inhibitors of 11-β-hydroxy steroid dehydrogenase type 1 BIOVITRUM AB (SE) 2007-02-06 US claimed
EP-1631558-A1 INHIBITORS OF 11-BETA-HYDROXY STEROID DEHYDROGENASE TYPE I BIOVITRUM AB (SE) 2006-03-08 EP claimed
US-20050009821-A1 Inhibitors of 11-beta-hydroxy steroid dehydrogenase type 1 BIOVITRUM AB 2005-01-13 US claimed
WO-2004103980-A1 INHIBITORS OF 11-BETA-HYDROXY STEROID DEHYDROGENASE TYPE I BIOVITRUM AB (SE) 2004-12-02 WO claimed
US-20070066614-A1 Ihibitors of 11-beta-hydroxy steroid dehydrogenase type 1 BIOVITRUM AB 2007-03-22 US disclosed
US-7173030-B2 Inhibitors of 11-β-hydroxy steroid dehydrogenase type 1 BIOVITRUM AB (SE) 2007-02-06 US disclosed
EP-1631558-A1 INHIBITORS OF 11-BETA-HYDROXY STEROID DEHYDROGENASE TYPE I BIOVITRUM AB (SE) 2006-03-08 EP disclosed
US-20050009821-A1 Inhibitors of 11-beta-hydroxy steroid dehydrogenase type 1 BIOVITRUM AB 2005-01-13 US disclosed
WO-2004103980-A1 INHIBITORS OF 11-BETA-HYDROXY STEROID DEHYDROGENASE TYPE I BIOVITRUM AB (SE) 2004-12-02 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-20050009821-A1 Inhibitors of 11-beta-hydroxy steroid dehydrogenase type 1 HSD11B1, HSD17B1, HSD11B2 RXFP1 4502/4885POLB 615/4885ENPP3 1181/4885
US-20070066614-A1 Ihibitors of 11-beta-hydroxy steroid dehydrogenase type 1 HSD11B1, HSD17B1, HSD17B11 RXFP1 3558/4885POLB 932/4885ENPP3 1123/4885

“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.