SCHEMBL2911206

SCHEMBL2911206

COc1cccc(C(=O)Nc2ccc(OC(=O)N3CCN4CCC3CC4)cc2)c1

nearest known ligand 0.69

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 2/20 0.58
HTR3A P46098 1/20 0.58
NPC1 O15118 3/20 0.55
RAB9A P51151 3/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
QSOX1 O00391 1/20 0.55
ALDH1A1 P00352 1/20 0.55
LMNA P02545 1/20 0.55
MAPT P10636 1/20 0.55
PKM P14618 1/20 0.55
KDM4E B2RXH2 1/20 0.54
TP53 P04637 1/20 0.54
TSHR P16473 1/20 0.54
NFKB1 P19838 1/20 0.54
NFKB2 Q00653 1/20 0.54
RELA Q04206 1/20 0.54

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
Hydrochloric Acid SCHEMBL2908231 0.99 CHRNA7 (0.57) CHRNA7HTR3ANPC1RAB9ASMN1; SMN2
SCHEMBL2911620 0.89 CHRNA7 (0.61) CHRNA7HTR3ANPC1RAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL2912834 0.88 CHRNA7 (0.60) CHRNA7HTR3ANPC1RAB9ASMN1; SMN2
SCHEMBL2912984 0.86 CHRNA7 (0.70) CHRNA7HTR3A
Hydrochloric Acid SCHEMBL2908418 0.85 CHRNA7 (0.69) CHRNA7HTR3A
SCHEMBL7556010 0.83 CHRNA7 (0.71) CHRNA7HTR3A
SCHEMBL3248601 0.82 NPC1 (0.64) NPC1RAB9ASMN1; SMN2QSOX1ALDH1A1
SCHEMBL2911803 0.82 CHRNA7 (0.61) CHRNA7HTR3ANPC1RAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL3248272 0.82 NPC1 (0.63) NPC1RAB9ASMN1; SMN2QSOX1ALDH1A1
Hydrochloric Acid SCHEMBL2911682 0.81 CHRNA7 (0.60) CHRNA7HTR3ANPC1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1987033-B1 DIAZABICYCLOALKANE DERIVATIVES AND THEIR MEDICAL USE NEUROSEARCH AS (DK) 2010-08-25 EP claimed
US-20090075983-A1 Novel Diazabicycloalkane Derivatives and Their Medical Use NEUROSEARCH A/S (DK) 2009-03-19 US claimed
EP-1987033-B1 DIAZABICYCLOALKANE DERIVATIVES AND THEIR MEDICAL USE NEUROSEARCH AS (DK) 2010-08-25 EP disclosed
US-20090075983-A1 Novel Diazabicycloalkane Derivatives and Their Medical Use NEUROSEARCH A/S (DK) 2009-03-19 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-20090075983-A1 Novel Diazabicycloalkane Derivatives and Their Medical Use CHRNA6, CHRNA2, CHRNA7 CHRNA7 3/4885HTR3A 165/4885NPC1 1953/4885

“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.