SCHEMBL16668707

SCHEMBL16668707

CN1CC[C@H](N(C)c2cc3ccccc3oc2=O)C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.44
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
CHRNB2 P17787 1/20 0.40
CHRNA4 P43681 1/20 0.40
MAOA P21397 1/20 0.40
NPC1 O15118 2/20 0.39
HTT P42858 1/20 0.39
HRH4 Q9H3N8 1/20 0.39
BCHE P06276 1/20 0.38
TYR P14679 1/20 0.38
DAO P14920 1/20 0.38
AKR1B1 P15121 1/20 0.38
HPGD P15428 1/20 0.38
POLB P06746 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MAOB P27338 2/20 0.38
CYP2D6 P10635 1/20 0.38
SLC6A2 P23975 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
SCHEMBL16669666 1.00 RAB9A (0.44) RAB9AKDM4EALDH1A1LMNACHRNB2
SCHEMBL15066153 0.78 SLC6A2 (0.45) KDM4ELMNABCHETYRDAO
SCHEMBL15066613 0.78 SLC6A2 (0.45) KDM4ELMNABCHETYRDAO
SCHEMBL259563 0.72 HPGD (0.55) RAB9AKDM4EALDH1A1LMNAMAOA
SCHEMBL15066612 0.72 RAB9A (0.48) RAB9AKDM4EALDH1A1LMNAMAOA
SCHEMBL20387676 0.69 HTR2A (0.40) KDM4EPOLBSMN1; SMN2SLC6A2HTR2A
SCHEMBL3692740 0.67 HPGD (0.51) RAB9AKDM4EALDH1A1LMNAMAOA
SCHEMBL23323616 0.67 TAAR1 (0.37) KDM4ESLC6A2HTR2AHTR2C
SCHEMBL145996 0.66 SMN1; SMN2 (0.51) RAB9AKDM4EALDH1A1LMNAMAOA
Coumarin SCHEMBL28998357 0.65 CA12 (0.61) RAB9AKDM4EALDH1A1LMNAMAOA

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-RE47689-E1 Compounds for treating spinal muscular atrophy PTC THERAPEUTICS, INC. (US) 2019-11-05 US disclosed
US-9617268-B2 Compounds for treating spinal muscular atrophy PTC THERAPEUTICS, INC. (US) 2017-04-11 US disclosed
US-20150119380-A1 COMPOUNDS FOR TREATING SPINAL MUSCULAR ATROPHY F. HOFFMANN-LA ROCHE AG (CH) 2015-04-30 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 (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-20150119380-A1 COMPOUNDS FOR TREATING SPINAL MUSCULAR ATROPHY SMN1; SMN2, RBM17, RBM22 RAB9A 3292/4885KDM4E 829/4885ALDH1A1 1006/4885

“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.