SCHEMBL10243919

SCHEMBL10243919

COc1cc(C(=O)N2[C@@H]3CC[C@H]2C[C@@H](c2ccc(F)cc2)C3)cc(OC)c1OC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.48
LMNA P02545 1/20 0.46
HTR7 P34969 1/20 0.45
GAA P10253 1/20 0.44
CXCR6 O00574 1/20 0.44
KMT2A Q03164 1/20 0.44
TUBB4A P04350 1/20 0.44
TUBB P07437 1/20 0.44
TUBA3C P0DPH7 1/20 0.44
TUBA1B P68363 1/20 0.44
TUBA4A P68366 1/20 0.44
TUBB4B P68371 1/20 0.44
TUBB3 Q13509 1/20 0.44
TUBB2A Q13885 1/20 0.44
TUBB8 Q3ZCM7 1/20 0.44
TUBA3E Q6PEY2 1/20 0.44
TUBA1A Q71U36 1/20 0.44
TUBA1C Q9BQE3 1/20 0.44
TUBB6 Q9BUF5 1/20 0.44
TUBB2B Q9BVA1 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
SCHEMBL17350675 1.00 PKM (0.48) PKMLMNAHTR7GAACXCR6
SCHEMBL10244183 0.91 FFAR2 (0.42) HTR7ALDH1A1KDM4EFFAR2
SCHEMBL17350665 0.91 FFAR2 (0.42) HTR7ALDH1A1KDM4EFFAR2
SCHEMBL10244165 0.89 SLC18A3 (0.43) HTR7FFAR2
SCHEMBL17350774 0.89 SLC18A3 (0.43) HTR7FFAR2
SCHEMBL10243425 0.88 SLC18A3 (0.42) HTR7KMT2AALDH1A1FFAR2
SCHEMBL2682699 0.88 SLC18A3 (0.42) HTR7KMT2AALDH1A1FFAR2
SCHEMBL10243812 0.88 ALDH1A1 (0.52) PKMLMNAKMT2AALDH1A1KDM4E
SCHEMBL17350726 0.88 ALDH1A1 (0.52) PKMLMNAKMT2AALDH1A1KDM4E
SCHEMBL17350518 0.86 TRPV6 (0.53) LMNAKMT2AALDH1A1KDM4EHTT

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 PKM 2761/4885LMNA 2595/4885HTR7 441/4885

“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.