SCHEMBL10244044

SCHEMBL10244044

COc1ccc(C(=O)N2[C@@H]3CC[C@H]2C[C@@H](c2ccc(F)cc2)C3)cc1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR2 O15552 3/20 0.43
SLC18A3 Q16572 2/20 0.43
SIGMAR1 Q99720 2/20 0.43
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 2/20 0.43
LMNA P02545 3/20 0.42
POLB P06746 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
KDM1A O60341 1/20 0.41
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
HSD17B10 Q99714 1/20 0.41
DRD2 P14416 3/20 0.41
DRD4 P21917 3/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TSHR P16473 1/20 0.41
PKM P14618 1/20 0.41
HTR1A P08908 1/20 0.40
HTR2A P28223 1/20 0.40

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
SCHEMBL17350636 1.00 FFAR2 (0.43) FFAR2SLC18A3SIGMAR1ALDH1A1KDM4E
SCHEMBL10243812 0.91 ALDH1A1 (0.52) FFAR2SLC18A3SIGMAR1ALDH1A1KDM4E
SCHEMBL17350726 0.91 ALDH1A1 (0.52) FFAR2SLC18A3SIGMAR1ALDH1A1KDM4E
SCHEMBL17350650 0.88 DRD2 (0.44) FFAR2SLC18A3SIGMAR1ALDH1A1KDM4E
SCHEMBL10244040 0.88 DRD2 (0.44) FFAR2SLC18A3SIGMAR1ALDH1A1KDM4E
SCHEMBL17351011 0.87 SLC18A3 (0.47) SLC18A3SIGMAR1ALDH1A1KDM4EPOLB
SCHEMBL10243746 0.87 SLC18A3 (0.47) SLC18A3SIGMAR1ALDH1A1KDM4EPOLB
SCHEMBL10243968 0.87 TRPV6 (0.53) FFAR2SLC18A3SIGMAR1ALDH1A1KDM4E
SCHEMBL17350518 0.87 TRPV6 (0.53) FFAR2SLC18A3SIGMAR1ALDH1A1KDM4E
SCHEMBL10243425 0.86 SLC18A3 (0.42) FFAR2SLC18A3SIGMAR1ALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2318403-B1 Aryl- and heteroarylcarbonyl derivatives of substituted nortropanes, medicaments containing such compounds and their use BOEHRINGER INGELHEIM INT (DE) 2015-12-23 EP disclosed
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 FFAR2 264/4885SLC18A3 3630/4885SIGMAR1 277/4885

“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.