SCHEMBL18172379

SCHEMBL18172379

CCC(C)(C)NC(=O)c1cc(-c2ccc(OC)cc2)cc(-n2cnnn2)c1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.50
KMT2A Q03164 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
PTGS2 P35354 3/20 0.44
ALDH1A1 P00352 2/20 0.44
PKM P14618 2/20 0.44
MAPT P10636 1/20 0.43
KDM4E B2RXH2 1/20 0.43
USP2 O75604 1/20 0.43
LMNA P02545 1/20 0.43
TP53 P04637 1/20 0.42
CYP3A4 P08684 1/20 0.41
HSD17B10 Q99714 1/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL10242989 0.89 TSHR (0.47) KMT2ASMN1; SMN2ALDH1A1PKMKDM4E
SCHEMBL18172406 0.88 CCR1 (0.46) KMT2ASMN1; SMN2ALDH1A1KDM4EUSP2
SCHEMBL18172458 0.88 P2RY14 (0.42) KMT2ASMN1; SMN2ALDH1A1MAPTKDM4E
SCHEMBL18172503 0.86 P2RY14 (0.53) NPC1RAB9A
SCHEMBL18172477 0.86 NOTUM (0.46) KMT2ASMN1; SMN2ALDH1A1KDM4EUSP2
SCHEMBL18172490 0.84 P2RY14 (0.42) ALDH1A1KDM4ELMNATP53NPC1
SCHEMBL18172393 0.84 P2RY14 (0.39) KMT2ASMN1; SMN2ALDH1A1KDM4EUSP2
SCHEMBL18172478 0.84 NOTUM (0.43) KMT2ASMN1; SMN2ALDH1A1KDM4EUSP2
SCHEMBL18172444 0.82 ALDH1A1 (0.40) KMT2ASMN1; SMN2ALDH1A1MAPTKDM4E
SCHEMBL18172384 0.82 TSHR (0.38) KMT2ASMN1; SMN2ALDH1A1KDM4EUSP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107207449-B Tetrazole derivatives for the treatment of psychotic disorders 豪夫迈·罗氏有限公司 2020-11-10 CN claimed
US-20180297961-A1 TETRAZOLE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2018-10-18 US claimed
EP-3286182-A1 TETRAZOLE DERIVATIVES FOR USE IN THE TREATMENT OF PSYCHIATRIC DISORDERS F. Hoffmann-La Roche AG (CH) 2018-02-28 EP claimed
WO-2016169902-A1 TETRAZOLE DERIVATIVES FOR USE IN THE TREATMENT OF PSYCHIATRIC DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2016-10-27 WO claimed
CN-107207449-B Tetrazole derivatives for the treatment of psychotic disorders 豪夫迈·罗氏有限公司 2020-11-10 CN disclosed
US-10577332-B2 Tetrazole derivatives HOFFMANN-LA ROCHE INC. (US) 2020-03-03 US disclosed
US-10577332-B2 Tetrazole derivatives HOFFMANN-LA ROCHE INC. (US) 2020-03-03 US disclosed
US-20180297961-A1 TETRAZOLE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2018-10-18 US disclosed
EP-3286182-A1 TETRAZOLE DERIVATIVES FOR USE IN THE TREATMENT OF PSYCHIATRIC DISORDERS F. Hoffmann-La Roche AG (CH) 2018-02-28 EP disclosed
WO-2016169902-A1 TETRAZOLE DERIVATIVES FOR USE IN THE TREATMENT OF PSYCHIATRIC DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2016-10-27 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 (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-10577332-B2 Tetrazole derivatives MC2R, MC3R, GABRR3 EPHX2 2452/4885KMT2A 2782/4885SMN1; SMN2 3684/4885
US-20180297961-A1 TETRAZOLE DERIVATIVES MC2R, MC3R, GABRR3 EPHX2 2452/4885KMT2A 2782/4885SMN1; SMN2 3684/4885

“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.