SCHEMBL9764797

SCHEMBL9764797

COc1ccccc1-c1ccc(C)cn1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.52
CCR5 P51681 1/20 0.52
CCR8 P51685 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
METAP2 P50579 1/20 0.51
CYP11B1 P15538 1/20 0.50
CYP11B2 P19099 1/20 0.50
MAPT P10636 4/20 0.49
L3MBTL1 Q9Y468 3/20 0.49
HSP90AA1 P07900 1/20 0.47
ALDH1A1 P00352 5/20 0.46
GAA P10253 2/20 0.46
HSD17B10 Q99714 2/20 0.46
HPGD P15428 1/20 0.46
ALOX15 P16050 1/20 0.46
ALOX12 P18054 1/20 0.46
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44

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
SCHEMBL24497548 0.82 METAP2 (0.51) METAP2CYP11B1CYP11B2MAPTL3MBTL1
SCHEMBL29739505 0.81 HSP90AA1 (0.50) METAP2CYP11B1CYP11B2MAPTHSP90AA1
SCHEMBL16321239 0.81 METAP2 (0.50) METAP2CYP11B1CYP11B2MAPTL3MBTL1
SCHEMBL16364563 0.81 METAP2 (0.50) METAP2CYP11B1CYP11B2MAPTL3MBTL1
SCHEMBL14988502 0.81 HSP90AA1 (0.50) METAP2CYP11B1CYP11B2MAPTHSP90AA1
SCHEMBL27432960 0.80 CCR1 (0.46) CCR1CCR5CCR8HDAC6METAP2
SCHEMBL905134 0.79 CYP1A2 (0.51) METAP2CYP11B1CYP11B2MAPTALDH1A1
SCHEMBL29685241 0.79 ALDH1A1 (0.53) METAP2CYP11B1CYP11B2MAPTHSP90AA1
SCHEMBL13561342 0.78 METAP2 (0.47) METAP2CYP11B1CYP11B2MAPTL3MBTL1
SCHEMBL25109898 0.78 METAP2 (0.47) METAP2CYP11B1CYP11B2MAPTHSP90AA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023192901-A9 QUINOLINE DERIVATIVES AS MODULATORS OF MAS-RELATED G-PROTEIN RECEPTOR X2 AND RELATED PRODUCTS ESCIENT PHARMACEUTICALS, INC. (US) 2023-12-14 WO disclosed
WO-2023192901-A1 QUINOLINE DERIVATIVES AS MODULATORS OF MAS-RELATED G-PROTEIN RECEPTOR X2 AND RELATED PRODUCTS ESCIENT PHARMACEUTICALS, INC. (US) 2023-10-05 WO disclosed
EP-2271622-B1 Heteroaryl derivatives as CFTR Modulators VERTEX PHARMA (US) 2017-10-04 EP disclosed
US-9751890-B2 Heteroaryl derivatives as CFTR modulators VERTEX PHARMACEUTICALS INCORPORATED (US) 2017-09-05 US disclosed
US-20170107225-A1 HETEROARYL DERIVATIVES AS CFTR MODULATORS VERTEX PHARMACEUTICALS INCORPORATED 2017-04-20 US disclosed
US-9504683-B2 Heteroaryl derivatives as CFTR modulators VERTEX PHARMACEUTICALS INCORPORATED (US) 2016-11-29 US disclosed
US-20150265612-A1 HETEROARYL DERIVATIVES AS CFTR MODULATORS VERTEX PHARMACEUTICALS INCORPORATED 2015-09-24 US disclosed
US-9079916-B2 Heteroaryl derivatives as CFTR modulators VERTEX PHARMACEUTICALS INCORPORATED (US) 2015-07-14 US disclosed
US-8796312-B2 Heteroaryl derivatives as CFTR modulators VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-08-05 US disclosed
US-20130023538-A1 Heteroaryl Derivatives as CFTR Modulators VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-01-24 US disclosed
EP-0428720-A1 OPTICALLY ACTIVE COMPOUNDS AND LIQUID CRYSTAL PHASE. MERCK PATENT GMBH (DE) 1991-05-29 EP disclosed
WO-1990013611-A2 OPTICALLY ACTIVE COMPOUNDS AND LIQUID CRYSTAL PHASE MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1990-11-15 WO 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 (3 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-20170107225-A1 HETEROARYL DERIVATIVES AS CFTR MODULATORS CFTR, ABCB1, ABCD3 CCR1 3364/4885CCR5 1133/4885CCR8 2801/4885
US-20130023538-A1 Heteroaryl Derivatives as CFTR Modulators CFTR, ABCB1, ABCD3 CCR1 3787/4885CCR5 1286/4885CCR8 3220/4885
US-20150265612-A1 HETEROARYL DERIVATIVES AS CFTR MODULATORS CFTR, ABCB1, ABCD3 CCR1 3364/4885CCR5 1133/4885CCR8 2801/4885

“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.