SCHEMBL10243897

SCHEMBL10243897

COc1cccc(C(=O)N2[C@@H]3CC[C@H]2C[C@@H](c2ccc(F)cc2)C3)c1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.56
ALDH1A1 P00352 3/20 0.52
KDM4E B2RXH2 1/20 0.52
LMNA P02545 1/20 0.52
TSHR P16473 1/20 0.52
MGLL Q99685 5/20 0.49
PARP14 Q460N5 1/20 0.48
PARP10 Q53GL7 1/20 0.48
CCR5 P51681 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.44
CHRM1 P11229 1/20 0.44
SLC18A3 Q16572 1/20 0.44
SIGMAR1 Q99720 1/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43

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
SCHEMBL17350931 1.00 HSD11B1 (0.56) HSD11B1ALDH1A1KDM4ELMNATSHR
SCHEMBL10243938 0.90 ALDH1A1 (0.48) HSD11B1ALDH1A1LMNATSHRSLC18A3
SCHEMBL17350607 0.90 ALDH1A1 (0.48) HSD11B1ALDH1A1LMNATSHRSLC18A3
SCHEMBL17350615 0.88 HSD11B1 (0.47) HSD11B1ALDH1A1KDM4ELMNATSHR
SCHEMBL10243662 0.88 HSD11B1 (0.47) HSD11B1ALDH1A1KDM4ELMNATSHR
SCHEMBL10244220 0.86 MEN1 (0.46) HSD11B1ALDH1A1KDM4ELMNATSHR
SCHEMBL17350574 0.86 MEN1 (0.46) HSD11B1ALDH1A1KDM4ELMNATSHR
SCHEMBL10243899 0.86 ALDH1A1 (0.53) HSD11B1ALDH1A1LMNAPARP10L3MBTL1
SCHEMBL17350908 0.86 ALDH1A1 (0.53) HSD11B1ALDH1A1LMNAPARP10L3MBTL1
SCHEMBL17350581 0.86 HSD11B1 (0.50) HSD11B1ALDH1A1KDM4EPARP14PARP10

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 HSD11B1 1/4885ALDH1A1 141/4885KDM4E 3260/4885

“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.