SCHEMBL17068993

SCHEMBL17068993

Cc1coc(-c2ccccc2C)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 13/20 0.53
NPC1 O15118 12/20 0.53
SMN1; SMN2 Q16637 10/20 0.53
CASP3 P42574 3/20 0.53
SENP8 Q96LD8 3/20 0.53
SENP7 Q9BQF6 3/20 0.53
SENP6 Q9GZR1 3/20 0.53
ENPP3 O14638 1/20 0.50
ENPP1 P22413 1/20 0.50
TSHR P16473 5/20 0.46
ALDH1A1 P00352 4/20 0.46
HPGD P15428 4/20 0.46
KDM4E B2RXH2 5/20 0.43
PRNP P04156 1/20 0.43
PPARG P37231 1/20 0.43
MAPK10 P53779 1/20 0.43
NCOA2 Q15596 1/20 0.43
NCOA1 Q15788 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
RXFP1 Q9HBX9 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
SCHEMBL2228307 0.82 ENPP3 (0.39) RAB9ANPC1SMN1; SMN2CASP3SENP8
SCHEMBL17544821 0.81 PDE4B (0.53) RAB9ANPC1SMN1; SMN2CASP3SENP8
SCHEMBL21083458 0.81 HDAC1 (0.54) RAB9ANPC1SMN1; SMN2ENPP3ENPP1
SCHEMBL5539380 0.81 NPC1 (0.50) RAB9ANPC1SMN1; SMN2CASP3SENP8
SCHEMBL23176775 0.78 TGFBR1 (0.38) ENPP3ENPP1TSHRALDH1A1KDM4E
SCHEMBL31607735 0.77 KDM4E (0.56) RAB9ANPC1SMN1; SMN2TSHRALDH1A1
SCHEMBL6487009 0.77 NPC1 (0.46) RAB9ANPC1SMN1; SMN2CASP3SENP8
SCHEMBL7744187 0.75 HDAC1 (0.49) RAB9ANPC1SMN1; SMN2CASP3SENP8
SCHEMBL3951956 0.75 ENPP3 (0.53) RAB9ANPC1SMN1; SMN2CASP3SENP8
SCHEMBL31415531 0.74 ALDH1A1 (0.47) RAB9ANPC1SMN1; SMN2CASP3SENP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210095196-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2021-04-01 US disclosed
US-9493446-B2 Orexin receptor antagonists which are [ortho bi-(hetero-)aryl]-[2-(meta bi-(hetero-)aryl)-pyrrolidin-1-yl]-methanone derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2016-11-15 US disclosed
US-20150252032-A1 OREXIN RECEPTOR ANTAGONISTS WHICH ARE [ORTHO BI-(HETERO-)ARYL]-[2-(META BI-(HETERO-)ARYL)-PYRROLIDIN-1-YL]-METHANONE DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2015-09-10 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 (2 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-20210095196-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES SSB, RO60, OSBP RAB9A 428/4885NPC1 2361/4885SMN1; SMN2 4645/4885
US-20150252032-A1 OREXIN RECEPTOR ANTAGONISTS WHICH ARE [ORTHO BI-(HETERO-)ARYL]-[2-(META BI-(HETERO-)ARYL)-PYRROLIDIN-1-YL]-METHANONE DERIVATIVES HCRTR2, HCRTR1, OXTR RAB9A 2830/4885NPC1 1248/4885SMN1; SMN2 2096/4885

“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.