SCHEMBL3663957

SCHEMBL3663957

CC(C)(C)N1CCN(Cc2ccc(B(O)O)cc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LPL P06858 2/20 0.43
LIPG Q9Y5X9 2/20 0.43
SIGMAR1 Q99720 5/20 0.41
LMNA P02545 2/20 0.41
ALDH1A1 P00352 2/20 0.41
POLB P06746 1/20 0.41
HRH3 Q9Y5N1 2/20 0.41
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
MC4R P32245 1/20 0.39
CHKA P35790 1/20 0.38
KMT2A Q03164 1/20 0.38
F11 P03951 1/20 0.38
TSHR P16473 1/20 0.38
OPRM1 P35372 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
SCHEMBL20548795 0.83 SIGMAR1 (0.44) LPLLIPGSIGMAR1LMNAALDH1A1
SCHEMBL3663917 0.82 ENPP2 (0.46) LPLLIPGSIGMAR1ALDH1A1KMT2A
SCHEMBL2320439 0.81 LMNA (0.61) LPLLIPGLMNAALDH1A1HRH3
SCHEMBL27934011 0.81 ALDH1A1 (0.62) LPLLIPGSIGMAR1LMNAALDH1A1
SCHEMBL4591222 0.81 DRD4 (0.50) SIGMAR1LMNAALDH1A1POLBHRH3
SCHEMBL28440571 0.81 LMNA (0.53) LMNAALDH1A1HRH3CA2MC4R
Hydrochloric Acid SCHEMBL21747953 0.80 LMNA (0.59) LPLLIPGLMNAALDH1A1HRH3
SCHEMBL2234131 0.80 LMNA (0.46) SIGMAR1LMNAALDH1A1POLBHRH3
SCHEMBL25860058 0.80 ALDH1A1 (0.65) LMNAALDH1A1POLBKMT2A
SCHEMBL2557827 0.79 HRH3 (0.65) ALDH1A1POLBHRH3

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-2242742-B1 PYRIDINE DERIVATIVES NOVARTIS AG (CH) 2015-12-02 EP disclosed
US-8343966-B2 Organic compounds NOVARTIS AG (CH) 2013-01-01 US disclosed
EP-2242742-A2 ORGANIC COMPOUNDS Novartis AG (CH) 2010-10-27 EP disclosed
US-20090215776-A1 Organic compounds ADCOCK CLAIRE 2009-08-27 US disclosed
WO-2009087212-A2 PYRIDINE DERIVATIVES NOVARTIS AG (CH) 2009-07-16 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-20090215776-A1 Organic compounds REN, RXFP1, MYLK LPL 4007/4885LIPG 3539/4885SIGMAR1 243/4885

“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.