Sugi Predict

Sugi Predict / Compounds / SCHEMBL2408296

SCHEMBL2408296

SCHEMBL2408296

COCCOc1cc(CO)ccc1Br

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ SLC6A4 P31645 13/20 0.57
▸ HTR1A P08908 11/20 0.42
▸ CYP2D6 P10635 5/20 0.41
▸ HTT P42858 1/20 0.39
▸ L3MBTL1 Q9Y468 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ CBFB Q13951 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL30808273 1.00 SLC6A4 (0.57) SLC6A4HTR1ACYP2D6HTTL3MBTL1
SCHEMBL20745053 0.95 SLC6A4 (0.53) SLC6A4HTR1ACYP2D6HTTL3MBTL1
SCHEMBL4746647 0.92 SLC6A4 (0.49) SLC6A4HTR1ACYP2D6HTTL3MBTL1
SCHEMBL1346422 0.85 SLC6A4 (0.58) SLC6A4HTR1ACYP2D6L3MBTL1MEN1
SCHEMBL8773585 0.85 SLC6A4 (0.46) SLC6A4HTTL3MBTL1MEN1ALDH1A1
SCHEMBL23673569 0.85 SLC6A4 (0.42) SLC6A4HTTALDH1A1ALOX15TSHR
SCHEMBL29887121 0.85 SLC6A4 (0.42) SLC6A4HTTALDH1A1ALOX15TSHR
SCHEMBL1057005 0.84 NPC1 (0.47) SLC6A4HTTL3MBTL1MEN1KMT2A
SCHEMBL2499099 0.83 SLC6A4 (0.45) SLC6A4CYP2D6MEN1ALDH1A1KMT2A
SCHEMBL2406028 0.83 SLC6A4 (0.57) SLC6A4HTR1ACYP2D6

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11999758-B2 Inhibitors of the YAP/TAZ-TEAD interaction and their use in the treatment of cancer INVENTIVA (FR) 2024-06-04 — — US disclosed
EP-3860990-B1 INHIBITORS OF THE YAP/TAZ-TEAD INTERACTION AND THEIR USE IN THE TREATMENT OF CANCER INVENTIVA (FR) 2022-09-14 — — EP disclosed
US-20210323982-A1 INHIBITORS OF THE YAP/TAZ-TEAD INTERACTION AND THEIR USE IN THE TREATMENT OF CANCER INVENTIVA (FR) 2021-10-21 — — US disclosed
EP-3860990-A1 INHIBITORS OF THE YAP/TAZ-TEAD INTERACTION AND THEIR USE IN THE TREATMENT OF CANCER Inventiva (FR) 2021-08-11 — — EP disclosed
WO-2020070181-A1 INHIBITORS OF THE YAP/TAZ-TEAD INTERACTION AND THEIR USE IN THE TREATMENT OF CANCER INVENTIVA (FR) 2020-04-09 — — WO disclosed
EP-3632908-A1 INHIBITORS OF THE YAP/TAZ-TEAD INTERACTION AND THEIR USE IN THE TREATMENT OF CANCER Inventiva (FR) 2020-04-08 — — EP disclosed
US-8778970-B2 Benzyl piperidine compound DAINIPPON SUMITOMO PHARMA CO., LTD (JP) 2014-07-15 — — US disclosed
US-20130303786-A1 BENZYLPIPERIZINE COMPOUND DAINIPPON SUMITOMO PHARMA CO (JP) 2013-11-14 — — US disclosed
US-8557998-B2 Benzylpiperizine compound DAINIPPON SUMITOMO PHARMA CO., LTD (JP) 2013-10-15 — — US disclosed
US-20120259122-A1 BENZYLPIPERIZINE COMPOUND DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2012-10-11 — — US disclosed
US-20120130077-A1 BENZYL PIPERIDINE COMPOUND DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2012-05-24 — — US disclosed
US-8063223-B2 Benzylpiperizine compound DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2011-11-22 — — US disclosed
US-8063223-B2 Benzylpiperizine compound DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2011-11-22 — — US disclosed
US-20110212950-A1 4,4-DISUBSTITUTED PIPERIDINES NOVARTIS AG (CH) 2011-09-01 — — US disclosed
US-20110118312-A1 BENZYLPIPERIZINE COMPOUND DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2011-05-19 — — US disclosed
EP-2212317-A1 4,4-DISUBSTITUTED PIPERIDINES Novartis AG (CH) 2010-08-04 — — EP disclosed
US-20100113792-A1 BENZYLPIPERIZINE COMPOUND DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2010-05-06 — — US disclosed
US-20100113792-A1 BENZYLPIPERIZINE COMPOUND DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2010-05-06 — — US disclosed
WO-2009099087-A1 BENZYLPIPERIZINE COMPOUND DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2009-08-13 — — WO disclosed
WO-2009053452-A1 4,4-DISUBSTITUTED PIPERIDINES NOVARTIS AG (CH) 2009-04-30 — — 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 (8 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-20120130077-A1 BENZYL PIPERIDINE COMPOUND HTR1D, HTR1A, HTR1B SLC6A4 23/4885HTR1A 2/4885CYP2D6 620/4885
US-20130303786-A1 BENZYLPIPERIZINE COMPOUND OPRM1, GRM1, CHRM1 SLC6A4 286/4885HTR1A 39/4885CYP2D6 55/4885
US-20210323982-A1 INHIBITORS OF THE YAP/TAZ-TEAD INTERACTION AND THEIR USE IN THE TREATMENT OF CANCER YAP1, TEAD2, YES1 SLC6A4 4648/4885HTR1A 4185/4885CYP2D6 2280/4885
US-20100113792-A1 BENZYLPIPERIZINE COMPOUND OPRM1, GRM1, CHRM1 SLC6A4 286/4885HTR1A 39/4885CYP2D6 55/4885
US-11999758-B2 Inhibitors of the YAP/TAZ-TEAD interaction and their use in the treatment of cancer YAP1, TEAD2, YES1 SLC6A4 4648/4885HTR1A 4185/4885CYP2D6 2280/4885
US-20120259122-A1 BENZYLPIPERIZINE COMPOUND OPRM1, GRM1, CHRM1 SLC6A4 286/4885HTR1A 39/4885CYP2D6 55/4885
US-20110118312-A1 BENZYLPIPERIZINE COMPOUND OPRM1, GRM1, CHRM1 SLC6A4 286/4885HTR1A 39/4885CYP2D6 55/4885
US-20110212950-A1 4,4-DISUBSTITUTED PIPERIDINES REN, AGTR2, AVPR2 SLC6A4 298/4885HTR1A 1578/4885CYP2D6 55/4885

“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.