SCHEMBL3885380

SCHEMBL3885380

CN(C(=O)NC12CC3CC(CC(C3)C1)C2)c1ccc(Cl)cc1F

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.44
EPHX2 P34913 5/20 0.44
HTT P42858 4/20 0.44
NPSR1 Q6W5P4 4/20 0.44
KDM4E B2RXH2 3/20 0.44
HPGD P15428 2/20 0.44
CNR1 P21554 1/20 0.43
SCN9A Q15858 1/20 0.42
LMNA P02545 4/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
MAPT P10636 2/20 0.41
GAA P10253 2/20 0.41
ALOX12 P18054 1/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
GPR55 Q9Y2T6 1/20 0.40
HSD11B1 P28845 1/20 0.39
POLB P06746 1/20 0.39
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL14387306 0.74 EPHX2 (0.41) ALDH1A1EPHX2CNR1SMN1; SMN2GAA
SCHEMBL6565448 0.72 EPHX2 (0.41) ALDH1A1EPHX2HTTNPSR1CNR1
SCHEMBL3883604 0.71 FSCN1 (0.50) ALDH1A1LMNASMN1; SMN2MAPTGAA
SCHEMBL11435211 0.70 FSCN1 (0.41) ALDH1A1EPHX2KDM4EGAANPC1
SCHEMBL3885471 0.68 NPC1 (0.48) ALDH1A1EPHX2KDM4EHPGDCNR1
SCHEMBL12094661 0.68 PSEN1 (0.37) EPHX2NPC1RAB9A
SCHEMBL14433954 0.68 ALDH1A1 (0.65) ALDH1A1EPHX2HTTNPSR1KDM4E
SCHEMBL14387302 0.68 FSCN1 (0.38) ALDH1A1EPHX2KDM4ELMNA
SCHEMBL3884642 0.66 KMT2A (0.38) ALDH1A1EPHX2
SCHEMBL3884158 0.65 PYGL (0.42) ALDH1A1EPHX2KDM4ENPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2013163-A1 TETRASUBSTITUTED UREAS AS MODULATORS OF 11-BETA HYDROXYL STEROID DEHYDROGENASE TYPE 1 Incyte Corporation (US) 2009-01-14 EP claimed
US-20070293529-A1 Tetrasubstituted ureas as modulators of 11-beta hydroxyl steroid dehydrogenase type 1 INCYTE CORPORATION 2007-12-20 US claimed
WO-2007130898-A1 TETRASUBSTITUTED UREAS AS MODULATORS OF 11-β HYDROXYL STEROID DEHYDROGENASE TYPE 1 INCYTE CORPORATION (US) 2007-11-15 WO claimed
EP-2013163-A1 TETRASUBSTITUTED UREAS AS MODULATORS OF 11-BETA HYDROXYL STEROID DEHYDROGENASE TYPE 1 Incyte Corporation (US) 2009-01-14 EP disclosed
US-20070293529-A1 Tetrasubstituted ureas as modulators of 11-beta hydroxyl steroid dehydrogenase type 1 INCYTE CORPORATION 2007-12-20 US disclosed
US-20070293529-A1 Tetrasubstituted ureas as modulators of 11-beta hydroxyl steroid dehydrogenase type 1 INCYTE CORPORATION 2007-12-20 US disclosed
WO-2007130898-A1 TETRASUBSTITUTED UREAS AS MODULATORS OF 11-β HYDROXYL STEROID DEHYDROGENASE TYPE 1 INCYTE CORPORATION (US) 2007-11-15 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-20070293529-A1 Tetrasubstituted ureas as modulators of 11-beta hydroxyl steroid dehydrogenase type 1 HSD11B1, HSD17B1, HSD17B11 ALDH1A1 131/4885EPHX2 836/4885HTT 1335/4885

“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.