SCHEMBL3379206

SCHEMBL3379206

O=C(NCCc1ccccc1)c1cccc2c1Oc1ccccc1C2=C1CC2CCC(C1)N2

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.44
SMN1; SMN2 Q16637 6/20 0.44
RAB9A P51151 5/20 0.44
KDM4E B2RXH2 4/20 0.44
POLB P06746 2/20 0.44
KDM1A O60341 1/20 0.39
HPGD P15428 4/20 0.38
ALDH1A1 P00352 2/20 0.38
HTT P42858 2/20 0.38
HSD17B10 Q99714 2/20 0.38
MAPT P10636 2/20 0.38
TSHR P16473 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
NLRP1 Q9C000 1/20 0.38
GAA P10253 1/20 0.38
TNKS O95271 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
LMNA P02545 1/20 0.36
NLRP3 Q96P20 1/20 0.36

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
SCHEMBL3382641 0.90 CHRNB4 (0.43) SMN1; SMN2KDM4EKDM1AHPGDALDH1A1
SCHEMBL13005736 0.89 MAOB (0.34) NPC1SMN1; SMN2RAB9AKDM4EPOLB
SCHEMBL3384775 0.83 BRD4 (0.37) GAA
SCHEMBL3382259 0.80 TRPA1 (0.40)
SCHEMBL3385842 0.77 MEN1 (0.36) SMN1; SMN2
SCHEMBL3382988 0.77 HTR1A (0.41) KDM4EHPGDALDH1A1HTTHSD17B10
SCHEMBL3380168 0.76 SETD7 (0.30)
SCHEMBL3380170 0.74 MAPT (0.32) SMN1; SMN2HTTMAPT
SCHEMBL3383083 0.73 SETD7 (0.35)
Trifluoroacetic Acid SCHEMBL3382424 0.72 KDM1A (0.36) KDM1A

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-1896467-B1 TRICYCLIC OPIOID MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2010-12-01 EP claimed
EP-1896467-B1 TRICYCLIC OPIOID MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2010-12-01 EP disclosed
US-20090275610-A1 TRICYCLIC OPIOID MODULATORS DECORTE BART 2009-11-05 US disclosed
US-7582650-B2 Tricyclic opioid modulators JANSSEN PHARMACEUTICA N.V. (BE) 2009-09-01 US disclosed
US-20060287297-A1 TRICYCLIC OPIOID MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2006-12-21 US 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-20060287297-A1 TRICYCLIC OPIOID MODULATORS OPRD1, OPRM1, OPRK1 NPC1 2010/4885SMN1; SMN2 2726/4885RAB9A 3296/4885
US-20090275610-A1 TRICYCLIC OPIOID MODULATORS OPRD1, OPRM1, OPRK1 NPC1 2010/4885SMN1; SMN2 2726/4885RAB9A 3296/4885

“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.