SCHEMBL18172325

SCHEMBL18172325

COC(=O)c1cc(NC(=O)C(C)C)cc(-c2ccc(C(F)(F)F)cc2)c1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
P2RY14 Q15391 3/20 0.50
HSD17B10 Q99714 1/20 0.47
LMNA P02545 1/20 0.45
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 1/20 0.43
MLYCD O95822 1/20 0.43
NOTUM Q6P988 1/20 0.43
KMT2A Q03164 1/20 0.43
KIF11 P52732 1/20 0.42
MCHR1 Q99705 1/20 0.41
PTPN1 P18031 1/20 0.40
PSEN1 P49768 1/20 0.40
PSEN2 P49810 1/20 0.40
APH1B Q8WW43 1/20 0.40
NCSTN Q92542 1/20 0.40
APH1A Q96BI3 1/20 0.40
PSENEN Q9NZ42 1/20 0.40
PDGFRB P09619 1/20 0.40
KDR P35968 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
SCHEMBL18172323 0.86 KDM4E (0.57) HSD17B10LMNAKDM4EALDH1A1KMT2A
SCHEMBL2716139 0.85 HSD17B10 (0.51) P2RY14HSD17B10LMNAKDM4EALDH1A1
SCHEMBL18172328 0.84 HSD17B10 (0.50) HSD17B10LMNAKDM4EALDH1A1KMT2A
SCHEMBL21264025 0.81 P2RY14 (0.77) P2RY14LMNAKDM4EKMT2AKIF11
SCHEMBL18172327 0.77 CFTR (0.51) P2RY14NOTUMKIF11PDGFRBKDR
SCHEMBL21247973 0.76 P2RY14 (0.60) P2RY14NOTUMKIF11PTPN1KDR
SCHEMBL2271347 0.75 LMNA (0.56) LMNANOTUMKIF11PTPN1
SCHEMBL13063663 0.75 LMNA (0.56) LMNANOTUMKIF11PTPN1
SCHEMBL11510708 0.75 MLYCD (0.65) LMNAALDH1A1MLYCDKMT2AKIF11
SCHEMBL16547253 0.73 FABP1 (0.46) P2RY14LMNAKDM4EALDH1A1KMT2A

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 5 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 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 P2RY14 3175/4885HSD17B10 1226/4885LMNA 4726/4885
US-20180297961-A1 TETRAZOLE DERIVATIVES MC2R, MC3R, GABRR3 P2RY14 3175/4885HSD17B10 1226/4885LMNA 4726/4885

“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.