SCHEMBL10243899

SCHEMBL10243899

COc1ccc(C(=O)N2[C@@H]3CC[C@H]2C[C@@H](c2ccc(F)cc2)C3)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.53
LMNA P02545 2/20 0.53
HSD11B1 P28845 2/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
POLB P06746 1/20 0.48
PARP10 Q53GL7 1/20 0.47
SLC18A3 Q16572 4/20 0.47
SIGMAR1 Q99720 2/20 0.47
HPGD P15428 1/20 0.46
HIF1A Q16665 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
MAPT P10636 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
FFAR2 O15552 2/20 0.44
HRH3 Q9Y5N1 1/20 0.44
DRD2 P14416 2/20 0.44
DRD4 P21917 2/20 0.44
HTR1A P08908 1/20 0.44
HTR2A P28223 1/20 0.44

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
SCHEMBL17350908 1.00 ALDH1A1 (0.53) ALDH1A1LMNAHSD11B1SMN1; SMN2POLB
SCHEMBL10243883 0.89 POLB (0.57) ALDH1A1HSD11B1POLBPARP10SLC18A3
SCHEMBL17350984 0.89 POLB (0.57) ALDH1A1HSD11B1POLBPARP10SLC18A3
SCHEMBL10243938 0.89 ALDH1A1 (0.48) ALDH1A1LMNAHSD11B1SMN1; SMN2POLB
SCHEMBL17350607 0.89 ALDH1A1 (0.48) ALDH1A1LMNAHSD11B1SMN1; SMN2POLB
SCHEMBL10243909 0.88 ATM (0.51) ALDH1A1POLBPARP10SLC18A3SIGMAR1
SCHEMBL17350829 0.88 ATM (0.51) ALDH1A1POLBPARP10SLC18A3SIGMAR1
SCHEMBL17350643 0.87 POLB (0.45) ALDH1A1LMNAHSD11B1SMN1; SMN2POLB
SCHEMBL10243735 0.87 POLB (0.45) ALDH1A1LMNAHSD11B1SMN1; SMN2POLB
SCHEMBL17350931 0.86 HSD11B1 (0.56) ALDH1A1LMNAHSD11B1PARP10SLC18A3

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 ALDH1A1 141/4885LMNA 2595/4885HSD11B1 1/4885

“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.