SCHEMBL10243425

SCHEMBL10243425

COc1c(C)cc(C(=O)N2[C@@H]3CC[C@H]2C[C@@H](c2ccc(F)cc2)C3)cc1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 2/20 0.42
SIGMAR1 Q99720 2/20 0.42
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
KMT2A Q03164 1/20 0.41
POLB P06746 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
DRD2 P14416 3/20 0.40
DRD4 P21917 3/20 0.40
HTR1A P08908 1/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
HRH1 P35367 1/20 0.39
HTR7 P34969 1/20 0.39
SLC6A3 Q01959 4/20 0.38
SLC6A2 P23975 3/20 0.38
SLC6A4 P31645 2/20 0.38
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
FFAR2 O15552 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
SCHEMBL2682699 1.00 SLC18A3 (0.42) SLC18A3SIGMAR1MEN1ALDH1A1KMT2A
SCHEMBL17350774 0.89 SLC18A3 (0.43) SLC18A3SIGMAR1POLBHRH3DRD2
SCHEMBL10244165 0.89 SLC18A3 (0.43) SLC18A3SIGMAR1POLBHRH3DRD2
SCHEMBL17350675 0.88 PKM (0.48) ALDH1A1KMT2AHTR7FFAR2
SCHEMBL10243919 0.88 PKM (0.48) ALDH1A1KMT2AHTR7FFAR2
SCHEMBL17350597 0.87 SLC18A3 (0.44) SLC18A3SIGMAR1MEN1ALDH1A1KMT2A
SCHEMBL10244153 0.87 SLC18A3 (0.44) SLC18A3SIGMAR1MEN1ALDH1A1KMT2A
SCHEMBL10244044 0.86 FFAR2 (0.43) SLC18A3SIGMAR1ALDH1A1POLBHRH3
SCHEMBL17350636 0.86 FFAR2 (0.43) SLC18A3SIGMAR1ALDH1A1POLBHRH3
SCHEMBL17350607 0.86 ALDH1A1 (0.48) SLC18A3SIGMAR1ALDH1A1POLBHRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120115853-A1 Aryl- and Heteroarylcarbonyl derivatives of substituted nortropanes, medicaments containing such compounds and their use BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-05-10 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-20120115853-A1 Aryl- and Heteroarylcarbonyl derivatives of substituted nortropanes, medicaments containing such compounds and their use HSD11B1, HSD11B2, HSD17B1 SLC18A3 3630/4885SIGMAR1 277/4885MEN1 3884/4885

“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.