SCHEMBL10244040

SCHEMBL10244040

COc1ccc(C(=O)N2[C@@H]3CC[C@H]2C[C@@H](c2ccc(F)cc2)C3)cc1Cl

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.44
DRD4 P21917 1/20 0.44
TP53 P04637 1/20 0.44
KDM4E B2RXH2 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
FFAR2 O15552 2/20 0.42
SLC18A3 Q16572 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
ALDH1A1 P00352 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
TAS1R3 Q7RTX0 2/20 0.41
TAS1R1 Q7RTX1 2/20 0.41
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
KDM1A O60341 1/20 0.40

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
SCHEMBL17350650 1.00 DRD2 (0.44) DRD2DRD4TP53KDM4ESMN1; SMN2
SCHEMBL10243812 0.90 ALDH1A1 (0.52) KDM4EFFAR2SLC18A3SIGMAR1ALDH1A1
SCHEMBL17350726 0.90 ALDH1A1 (0.52) KDM4EFFAR2SLC18A3SIGMAR1ALDH1A1
SCHEMBL10244044 0.88 FFAR2 (0.43) DRD2DRD4KDM4ESMN1; SMN2FFAR2
SCHEMBL17350636 0.88 FFAR2 (0.43) DRD2DRD4KDM4ESMN1; SMN2FFAR2
SCHEMBL10244046 0.87 SLC22A12 (0.43) DRD2DRD4KDM4ESMN1; SMN2FFAR2
SCHEMBL17350766 0.87 SLC22A12 (0.43) DRD2DRD4KDM4ESMN1; SMN2FFAR2
SCHEMBL17350518 0.86 TRPV6 (0.53) KDM4ESMN1; SMN2FFAR2SLC18A3SIGMAR1
SCHEMBL10243968 0.86 TRPV6 (0.53) KDM4ESMN1; SMN2FFAR2SLC18A3SIGMAR1
SCHEMBL10243960 0.84 DRD2 (0.47) DRD2DRD4KDM4ESLC18A3SIGMAR1

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 DRD2 772/4885DRD4 986/4885TP53 4780/4885

“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.