SCHEMBL3066985

SCHEMBL3066985

CC[C@@H]1CC2(C[C@H](CC)N1Cc1ccccc1)OCCO2

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 3/20 0.40
CHRM2 P08172 1/20 0.38
CHRM4 P08173 1/20 0.38
CHRM5 P08912 1/20 0.38
ELANE P08246 2/20 0.37
ALDH1A1 P00352 3/20 0.37
SIGMAR1 Q99720 2/20 0.37
TMEM97 Q5BJF2 1/20 0.37
NPSR1 Q6W5P4 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ACHE P22303 1/20 0.35

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
SCHEMBL3076447 1.00 BRD4 (0.40) BRD4CHRM2CHRM4CHRM5ELANE
SCHEMBL3076448 1.00 BRD4 (0.40) BRD4CHRM2CHRM4CHRM5ELANE
SCHEMBL15720848 0.78 CHRM2 (0.47) CHRM2CHRM4CHRM5ALDH1A1MEN1
SCHEMBL24699789 0.71 KMT2A (0.48) BRD4CHRM2CHRM4CHRM5ELANE
SCHEMBL22599709 0.71 CHRM2 (0.46) BRD4CHRM2CHRM4CHRM5ELANE
SCHEMBL3061199 0.71 KMT2A (0.48) BRD4CHRM2CHRM4CHRM5ELANE
SCHEMBL13303749 0.71 ALDH1A1 (0.35) ALDH1A1NPSR1MEN1KMT2A
SCHEMBL27043869 0.70 BRD4 (0.43) BRD4CHRM2CHRM4CHRM5ALDH1A1
SCHEMBL3382821 0.70 FUCA1 (0.45) CHRM2CHRM4CHRM5ALDH1A1SIGMAR1
SCHEMBL9204180 0.70 TMEM97 (0.43) SIGMAR1TMEM97

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100267747-A1 5-(Arylsulfonyl)-Pyrazolopiperidines ELAN PHARMACEUTICALS, INC. (US) 2010-10-21 US disclosed
US-20100267747-A1 5-(Arylsulfonyl)-Pyrazolopiperidines ELAN PHARMACEUTICALS, INC. (US) 2010-10-21 US disclosed
US-20100267747-A1 5-(Arylsulfonyl)-Pyrazolopiperidines ELAN PHARMACEUTICALS, INC. (US) 2010-10-21 US disclosed
US-7732609-B2 5-(arylsulfonyl)-pyrazolopiperidines ELAN PHARMACEUTICALS, INC. (US) 2010-06-08 US disclosed
US-7732609-B2 5-(arylsulfonyl)-pyrazolopiperidines ELAN PHARMACEUTICALS, INC. (US) 2010-06-08 US disclosed
US-7732609-B2 5-(arylsulfonyl)-pyrazolopiperidines ELAN PHARMACEUTICALS, INC. (US) 2010-06-08 US disclosed
US-20070155753-A1 5-(Arylsulfonyl)-Pyrazolopiperidines ELAN PHARMACEUTICALS, INC. 2007-07-05 US disclosed
US-20070155753-A1 5-(Arylsulfonyl)-Pyrazolopiperidines ELAN PHARMACEUTICALS, INC. 2007-07-05 US disclosed
US-20070155753-A1 5-(Arylsulfonyl)-Pyrazolopiperidines ELAN PHARMACEUTICALS, INC. 2007-07-05 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-20070155753-A1 5-(Arylsulfonyl)-Pyrazolopiperidines PSEN1, PSEN2, C1S BRD4 490/4885CHRM2 11/4885CHRM4 106/4885
US-20100267747-A1 5-(Arylsulfonyl)-Pyrazolopiperidines PSEN1, PSEN2, C1S BRD4 490/4885CHRM2 11/4885CHRM4 106/4885

“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.