SCHEMBL7117751

SCHEMBL7117751

O=C1C[C@H](c2ccccc2)[C@@H](CCOc2cccc(Cl)c2)N1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.42
DRD4 P21917 1/20 0.42
LMNA P02545 1/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KDM4E B2RXH2 4/20 0.41
SLC6A3 Q01959 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GRM2 Q14416 1/20 0.39
HTR1A P08908 1/20 0.39
HTR7 P34969 1/20 0.39
HSD17B2 P37059 1/20 0.38
TP53 P04637 1/20 0.38
TSHR P16473 1/20 0.38
HRH3 Q9Y5N1 5/20 0.38
HCAR2 Q8TDS4 1/20 0.38

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
SCHEMBL7117749 1.00 DRD2 (0.42) DRD2DRD4LMNAMAPK1HTT
SCHEMBL10637279 0.71 KMT2A (0.40) SLC6A3
SCHEMBL6990768 0.71 NPSR1 (0.44) LMNAKDM4EALDH1A1
SCHEMBL10642101 0.71 NPSR1 (0.40) LMNAALDH1A1
SCHEMBL5481415 0.69 NPSR1 (0.45) LMNAHTTKDM4EALDH1A1
SCHEMBL9808100 0.69 DRD2 (0.72) DRD2DRD4LMNAMAPK1HTT
Hydrochloric Acid SCHEMBL4282086 0.68 KDM4E (0.49) LMNAMAPK1HTTSMN1; SMN2KDM4E
SCHEMBL6771427 0.67 HSD17B2 (0.66) LMNAMAPK1HTTSMN1; SMN2GRM2
SCHEMBL6771425 0.67 HSD17B2 (0.66) LMNAMAPK1HTTSMN1; SMN2GRM2
SCHEMBL27972717 0.67 KDM1A (0.43) LMNAKDM4ESLC6A3ALDH1A1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030087952-A1 17-Beta-hydroxysteroid dehydrogenase-II inhibitors BAYER PHARMACEUTICALS CORPORATION 2003-05-08 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-20030087952-A1 17-Beta-hydroxysteroid dehydrogenase-II inhibitors HSD3B1, HSD3B2, HSD17B1 DRD2 777/4885DRD4 703/4885LMNA 1242/4885

“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.