SCHEMBL8239480

SCHEMBL8239480

C=C(C)c1cccc(C2(NC(=O)OC(C)(C)C)CCN(Cc3ccccc3)C2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.44
▸ KMT2A Q03164 3/20 0.44
▸ NPFFR1 Q9GZQ6 6/20 0.44
▸ NPFFR2 Q9Y5X5 6/20 0.44
▸ SLC6A9 P48067 1/20 0.42
▸ OPRM1 P35372 2/20 0.42
▸ OPRK1 P41145 1/20 0.42
▸ BACE1 P56817 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ SUCNR1 Q9BXA5 1/20 0.38
▸ CYP2D6 P10635 2/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ LMNA P02545 2/20 0.38
▸ MAPT P10636 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ CNR1 P21554 1/20 0.38
▸ CNR2 P34972 1/20 0.38

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
SCHEMBL1036462 0.87 NPFFR1 (0.52) KMT2ANPFFR1NPFFR2SLC6A9CYP2D6
SCHEMBL7315847 0.81 NPFFR1 (0.56) NPFFR1NPFFR2CYP2D6ALDH1A1CNR1
SCHEMBL4161335 0.76 KDM4E (0.48) MEN1KMT2AOPRM1OPRK1KDM4E
SCHEMBL28249793 0.76 NPFFR1 (0.53) KMT2ANPFFR1NPFFR2CYP2D6CYP3A4
SCHEMBL1031172 0.75 NPFFR1 (0.53) KMT2ANPFFR1NPFFR2CYP2D6CYP3A4
SCHEMBL3408119 0.75 NPFFR1 (0.52) NPFFR1NPFFR2OPRK1KDM4ECYP2D6
SCHEMBL19331129 0.74 POLB (0.57) SLC6A9KDM4ECYP2D6CYP3A4TSHR
SCHEMBL23120819 0.74 NPFFR1 (0.53) KMT2ANPFFR1NPFFR2CYP2D6CYP3A4
SCHEMBL22961966 0.74 NPFFR1 (0.53) KMT2ANPFFR1NPFFR2CYP2D6CYP3A4
SCHEMBL4155932 0.74 KDM4E (0.63) MEN1KMT2AOPRM1OPRK1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090069287-A1 SUBSTITUTED AZACYCLOALKANES USEFUL FOR TREATING CNS CONDITIONS PFIZER INC 2009-03-12 — — US disclosed
US-20090069287-A1 SUBSTITUTED AZACYCLOALKANES USEFUL FOR TREATING CNS CONDITIONS PFIZER INC 2009-03-12 — — US disclosed
WO-2007060526-A1 SUBSTITUTED AZACYCLOALKANES USEFUL FOR TREATING CNS CONDITIONS PFIZER PRODUCTS INC. (US) 2007-05-31 — — 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-20090069287-A1 SUBSTITUTED AZACYCLOALKANES USEFUL FOR TREATING CNS CONDITIONS BACE2, BACE1, PMP22 MEN1 1661/4885KMT2A 2570/4885NPFFR1 2554/4885

“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.

Send feedback