SCHEMBL10243812

SCHEMBL10243812

COc1ccc(C(=O)N2[C@@H]3CC[C@H]2C[C@@H](c2ccc(F)cc2)C3)cc1OC

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.52
KDM4E B2RXH2 1/20 0.52
LMNA P02545 1/20 0.51
TSHR P16473 1/20 0.49
CYP2D6 P10635 2/20 0.47
PKM P14618 1/20 0.46
POLB P06746 2/20 0.46
SLC18A3 Q16572 1/20 0.45
SIGMAR1 Q99720 1/20 0.45
FFAR2 O15552 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
MAPT P10636 1/20 0.44
CYP2C19 P33261 1/20 0.44
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
TRPV6 Q9H1D0 1/20 0.43
ROCK2 O75116 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
SCHEMBL17350726 1.00 ALDH1A1 (0.52) ALDH1A1KDM4ELMNATSHRCYP2D6
SCHEMBL17350636 0.91 FFAR2 (0.43) ALDH1A1KDM4ELMNATSHRPKM
SCHEMBL10244044 0.91 FFAR2 (0.43) ALDH1A1KDM4ELMNATSHRPKM
SCHEMBL17350518 0.91 TRPV6 (0.53) ALDH1A1KDM4ELMNACYP2D6SLC18A3
SCHEMBL10243968 0.91 TRPV6 (0.53) ALDH1A1KDM4ELMNACYP2D6SLC18A3
SCHEMBL17350650 0.90 DRD2 (0.44) ALDH1A1KDM4ELMNAPOLBSLC18A3
SCHEMBL10244040 0.90 DRD2 (0.44) ALDH1A1KDM4ELMNAPOLBSLC18A3
SCHEMBL10244183 0.88 FFAR2 (0.42) ALDH1A1KDM4EPOLBSLC18A3SIGMAR1
SCHEMBL17350675 0.88 PKM (0.48) ALDH1A1KDM4ELMNAPKMFFAR2
SCHEMBL17350665 0.88 FFAR2 (0.42) ALDH1A1KDM4EPOLBSLC18A3SIGMAR1

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 141/4885KDM4E 3260/4885LMNA 2595/4885

“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.