SCHEMBL101505

SCHEMBL101505

Cc1nc(-c2ccc([C@H]3CC(C)CCO3)cc2)no1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.45
MAOB P27338 1/20 0.45
DRD3 P35462 2/20 0.43
DRD2 P14416 1/20 0.43
KCNH2 Q12809 1/20 0.43
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
SMYD3 Q9H7B4 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
PLK1 P53350 1/20 0.41
MAPK14 Q16539 2/20 0.39
CHRNA7 P36544 1/20 0.38
RAB9A P51151 3/20 0.38
LMNA P02545 2/20 0.38
TSHR P16473 1/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 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
SCHEMBL9906431 0.81 MAOA (0.47) MAOAMAOBDRD3DRD2KCNH2
SCHEMBL2602806 0.78 MAOA (0.50) MAOAMAOBDRD3DRD2KCNH2
Hydrochloric Acid SCHEMBL537394 0.77 MAOA (0.49) MAOAMAOBDRD3DRD2KCNH2
SCHEMBL101781 0.76 MAOA (0.51) MAOAMAOB
Hydrochloric Acid SCHEMBL136661 0.75 MAOA (0.50) MAOAMAOB
SCHEMBL13415301 0.72 L3MBTL1 (0.69) MAOAMAOBCA12CA1CA2
SCHEMBL966656 0.71 DRD3 (0.49) MAOAMAOBDRD3DRD2KCNH2
SCHEMBL19090156 0.70 BACE1 (0.38) MAOB
SCHEMBL14731081 0.70 SLC6A2 (0.40) MAOAMAOBKCNH2LMNATSHR
SCHEMBL28253071 0.70 SLC6A4 (0.31)

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-20120059165-A1 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF SANOFI (FR) 2012-03-08 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-20120059165-A1 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF HRH4, HNMT, CYP3A4 MAOA 72/4885MAOB 117/4885DRD3 437/4885

“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.