SCHEMBL19651830

SCHEMBL19651830

Cc1cc(C(C)C)ncc1C(=O)N1CCOCC1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HSP90AA1 P07900 2/20 0.51
▸ HSP90AB1 P08238 2/20 0.51
▸ HTT P42858 2/20 0.49
▸ HPGD P15428 1/20 0.47
▸ CNR2 P34972 2/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ LMNA P02545 1/20 0.44
▸ CNR1 P21554 1/20 0.44
▸ PKM P14618 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ SPR P35270 2/20 0.44
▸ LRRK2 Q5S007 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ TSHR P16473 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
SCHEMBL19657118 0.85 MAPT (0.55) HSP90AA1HSP90AB1HTTHPGDSMN1; SMN2
SCHEMBL17796530 0.81 HPGD (0.56) HSP90AA1HTTHPGDCNR2SMN1; SMN2
SCHEMBL10255135 0.78 SMN1; SMN2 (0.65) HSP90AA1HSP90AB1HTTHPGDSMN1; SMN2
SCHEMBL19651851 0.75 HSP90AA1 (0.53) HSP90AA1HSP90AB1HTTHPGDSMN1; SMN2
SCHEMBL8819862 0.75 HSP90AA1 (0.47) HSP90AA1HSP90AB1HTTHPGDSMN1; SMN2
SCHEMBL5079739 0.75 HSP90AA1 (0.56) HSP90AA1HSP90AB1HTTHPGDSMN1; SMN2
SCHEMBL19651862 0.73 HSP90AA1 (0.45) HSP90AA1HSP90AB1HTTHPGDSMN1; SMN2
SCHEMBL19706323 0.73 GABRP (0.58) HPGDPKMALDH1A1MAPTTSHR
SCHEMBL12545691 0.72 HSP90AA1 (0.53) HSP90AA1HSP90AB1HTTHPGDCNR1
SCHEMBL12141974 0.72 SMN1; SMN2 (0.53) HSP90AA1HSP90AB1HTTSMN1; SMN2LMNA

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-20170340605-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2017-11-30 — — 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-20170340605-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF BRD4, BRDT, BRPF3 HSP90AA1 1632/4885HSP90AB1 1054/4885HTT 765/4885

“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.

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