SCHEMBL10243729

SCHEMBL10243729

CC(=O)Nc1cccc(C(=O)N2[C@@H]3CC[C@H]2C[C@@H](c2ccc(F)cc2)C3)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.47
RECQL P46063 1/20 0.47
ATM Q13315 1/20 0.47
HTR1F P30939 1/20 0.46
NPC1 O15118 3/20 0.46
GAA P10253 3/20 0.46
RAB9A P51151 1/20 0.46
TNKS O95271 1/20 0.46
PARP1 P09874 1/20 0.46
PARP14 Q460N5 1/20 0.46
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
HRH3 Q9Y5N1 1/20 0.45
CCR3 P51677 1/20 0.44
SMYD3 Q9H7B4 1/20 0.42
SLC18A3 Q16572 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
GABRD O14764 1/20 0.42
GABRA1 P14867 1/20 0.42
GABRB1 P18505 1/20 0.42

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
SCHEMBL17350691 1.00 MAPT (0.47) MAPTRECQLATMHTR1FNPC1
SCHEMBL17351181 0.89 SLC18A3 (0.44) HTR1FTNKSPARP1PARP14KMT2A
SCHEMBL10243798 0.89 SLC18A3 (0.44) HTR1FTNKSPARP1PARP14KMT2A
SCHEMBL17350616 0.88 SLC18A3 (0.46) MAPTNPC1GAAPARP14KMT2A
SCHEMBL10244083 0.88 SLC18A3 (0.46) MAPTNPC1GAAPARP14KMT2A
SCHEMBL10244500 0.86 HRH3 (0.55) MAPTNPC1RAB9AKMT2AMEN1
SCHEMBL17350745 0.86 HRH3 (0.55) MAPTNPC1RAB9AKMT2AMEN1
SCHEMBL17350581 0.84 HSD11B1 (0.50) PARP14KMT2AMEN1SLC18A3SIGMAR1
SCHEMBL10244021 0.84 HSD11B1 (0.50) PARP14KMT2AMEN1SLC18A3SIGMAR1
SCHEMBL10243864 0.83 HSD11B1 (0.53) KMT2AMEN1HRH3SLC18A3SIGMAR1

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 MAPT 4658/4885RECQL 1789/4885ATM 4290/4885

“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.