SCHEMBL10243746

SCHEMBL10243746

Cc1ccc(C(=O)N2[C@@H]3CC[C@H]2C[C@@H](c2ccc(F)cc2)C3)cc1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 2/20 0.47
SIGMAR1 Q99720 2/20 0.47
KMT2A Q03164 2/20 0.47
POLB P06746 1/20 0.45
ALDH1A1 P00352 3/20 0.45
TP53 P04637 2/20 0.45
HPGD P15428 1/20 0.45
KDM1A O60341 2/20 0.44
HRH3 Q9Y5N1 1/20 0.44
DRD2 P14416 3/20 0.44
DRD4 P21917 3/20 0.44
HTR1A P08908 1/20 0.44
HTR2A P28223 1/20 0.44
HTR2C P28335 1/20 0.44
HRH1 P35367 1/20 0.44
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
MAPK1 P28482 1/20 0.39
EGFR P00533 1/20 0.39
NPC1 O15118 1/20 0.39

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
SCHEMBL17351011 1.00 SLC18A3 (0.47) SLC18A3SIGMAR1KMT2APOLBALDH1A1
SCHEMBL17351080 0.90 SLC18A3 (0.46) SLC18A3SIGMAR1KMT2APOLBALDH1A1
SCHEMBL10243963 0.90 SLC18A3 (0.46) SLC18A3SIGMAR1KMT2APOLBALDH1A1
SCHEMBL10243760 0.90 SLC18A3 (0.46) SLC18A3SIGMAR1KMT2APOLBALDH1A1
SCHEMBL17350889 0.90 SLC18A3 (0.46) SLC18A3SIGMAR1KMT2APOLBALDH1A1
SCHEMBL10244153 0.88 SLC18A3 (0.44) SLC18A3SIGMAR1KMT2APOLBALDH1A1
SCHEMBL17350597 0.88 SLC18A3 (0.44) SLC18A3SIGMAR1KMT2APOLBALDH1A1
SCHEMBL10244044 0.87 FFAR2 (0.43) SLC18A3SIGMAR1POLBALDH1A1KDM1A
SCHEMBL17350636 0.87 FFAR2 (0.43) SLC18A3SIGMAR1POLBALDH1A1KDM1A
SCHEMBL17350984 0.87 POLB (0.57) SLC18A3SIGMAR1KMT2APOLBALDH1A1

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 3 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
WO-2010023161-A1 ARYL- AND HETEROARYLCARBONYL DERIVATIVES OF SUBSTITUTED NORTROPANES, MEDICAMENTS CONTAINING SUCH COMPOUNDS AND THEIR USE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-03-04 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-20120115853-A1 Aryl- and Heteroarylcarbonyl derivatives of substituted nortropanes, medicaments containing such compounds and their use HSD11B1, HSD11B2, HSD17B1 SLC18A3 3630/4885SIGMAR1 277/4885KMT2A 2551/4885

“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.