SCHEMBL10243555

SCHEMBL10243555

Cc1[nH]c2cc(C(=O)N3[C@@H]4CC[C@H]3C[C@@H](c3ccc(F)cc3)C4)ccc2c1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.46
MAPT P10636 1/20 0.43
HRH3 Q9Y5N1 1/20 0.41
SLC18A3 Q16572 2/20 0.41
SIGMAR1 Q99720 2/20 0.41
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
NPC1 O15118 1/20 0.40
GFER P55789 1/20 0.40
KDM1A O60341 2/20 0.39
DRD2 P14416 3/20 0.39
DRD4 P21917 3/20 0.39
PTGS1 P23219 1/20 0.39
PTGS2 P35354 1/20 0.39
HTR1A P08908 1/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
HRH1 P35367 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 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
SCHEMBL17350881 1.00 POLB (0.46) POLBMAPTHRH3SLC18A3SIGMAR1
SCHEMBL17350727 0.92 POLB (0.56) POLBMAPTHRH3SLC18A3SIGMAR1
SCHEMBL10243835 0.92 POLB (0.56) POLBMAPTHRH3SLC18A3SIGMAR1
SCHEMBL17350840 0.80 HSP90AA1 (0.47) POLBHRH3SLC18A3SIGMAR1RAB9A
SCHEMBL10243810 0.80 HSP90AA1 (0.47) POLBHRH3SLC18A3SIGMAR1RAB9A
SCHEMBL10243760 0.80 SLC18A3 (0.46) POLBHRH3SLC18A3SIGMAR1RAB9A
SCHEMBL17351080 0.80 SLC18A3 (0.46) POLBHRH3SLC18A3SIGMAR1RAB9A
SCHEMBL17350637 0.80 HSD11B1 (0.42) POLBHRH3SLC18A3SIGMAR1KDM1A
SCHEMBL10243665 0.80 HSD11B1 (0.42) POLBHRH3SLC18A3SIGMAR1KDM1A
SCHEMBL17351011 0.80 SLC18A3 (0.47) POLBHRH3SLC18A3SIGMAR1RAB9A

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 POLB 2353/4885MAPT 4658/4885HRH3 1526/4885

“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.