SCHEMBL72964

SCHEMBL72964

COC(=O)C1CN(C(c2ccccc2)c2ccccc2)C1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.49
CYP2D6 P10635 4/20 0.49
CYP2C9 P11712 3/20 0.49
CYP2C19 P33261 3/20 0.48
OPRD1 P41143 1/20 0.48
ALDH1A1 P00352 3/20 0.48
CYP1A2 P05177 3/20 0.48
TSHR P16473 2/20 0.48
HSD17B10 Q99714 2/20 0.48
MAPK1 P28482 1/20 0.48
KMT2A Q03164 3/20 0.47
SLC6A9 P48067 1/20 0.47
MEN1 O00255 2/20 0.47
LMNA P02545 1/20 0.47
CNR1 P21554 1/20 0.44
CNR2 P34972 1/20 0.44
NPC1 O15118 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
SCHEMBL9682596 0.86 CYP2D6 (0.49) CYP3A4CYP2D6CYP2C19ALDH1A1CYP1A2
SCHEMBL3292513 0.83 CACNA1A (0.58) CYP2C19OPRD1ALDH1A1TSHRKMT2A
SCHEMBL20594076 0.83 KMT2A (0.57) CYP3A4CYP2D6CYP2C9OPRD1ALDH1A1
SCHEMBL85386 0.81 ALDH1A1 (0.54) OPRD1ALDH1A1KMT2ASLC6A9MEN1
SCHEMBL1366519 0.81 ALDH1A1 (0.48) CYP3A4CYP2D6CYP2C9OPRD1ALDH1A1
SCHEMBL5458127 0.80 ALDH1A1 (0.46) CYP3A4CYP2D6CYP2C9CYP2C19OPRD1
SCHEMBL3295365 0.79 ALDH1A1 (0.43) CYP3A4CYP2D6CYP2C9CYP2C19OPRD1
SCHEMBL27717381 0.78 SLC6A9 (0.48) CYP3A4CYP2D6CYP2C9CYP2C19OPRD1
SCHEMBL12499368 0.78 ALDH1A1 (0.51) OPRD1ALDH1A1KMT2ASLC6A9MEN1
SCHEMBL5461890 0.77 ALDH1A1 (0.51) OPRD1ALDH1A1KMT2ASLC6A9MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260124205-A1 MODULATORS OF BETA CATENIN AND USES THEREOF DEWPOINT THERAPEUTICS INC (US) 2026-05-07 US disclosed
WO-2026090104-A1 MODULATORS OF BETA CATENIN AND USES THEREOF DEWPOINT THERAPEUTICS, INC. (US) 2026-04-30 WO disclosed
US-20250018046-A1 COMPOUNDS FOR TARGETING DEGRADATION OF IRAK4 PROTEINS BIOGEN MA INC. 2025-01-16 US disclosed
WO-2023283372-A1 COMPOUNDS FOR TARGETING DEGRADATION OF IRAK4 PROTEINS BIOGEN MA INC. (US) 2023-01-12 WO disclosed
WO-2018108954-A1 PROCESS FOR THE PREPARATION OF 2-(3-(FLUOROMETHYL)AZETIDIN-1-YL)ETHAN-1-OL F. HOFFMANN-LA ROCHE AG (CH) 2018-06-21 WO disclosed
EP-2256114-B1 AMIDE DERIVATIVE AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME DAINIPPON SUMITOMO PHARMA CO (JP) 2014-06-25 EP disclosed
EP-1961750-B1 VLA-4 INHIBITORY DRUG DAIICHI SANKYO CO LTD (JP) 2013-09-18 EP disclosed
EP-1889836-B1 NOVEL PYRIDINE DERIVATIVE AND PYRIMIDINE DERIVATIVE (3) EISAI R&D MAN CO LTD (JP) 2013-06-12 EP disclosed
EP-1889836-B1 NOVEL PYRIDINE DERIVATIVE AND PYRIMIDINE DERIVATIVE (3) EISAI R&D MAN CO LTD (JP) 2013-06-12 EP disclosed
EP-2058302-B1 METHOD FOR PRODUCING PHENOXYPYRIDINE DERIVATIVE EISAI R&D MAN CO LTD (JP) 2013-04-17 EP disclosed
US-20080214815-A1 Process for preparing phenoxypyridine derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-09-04 US disclosed
US-20080214815-A1 Process for preparing phenoxypyridine derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-09-04 US disclosed
US-20080214815-A1 Process for preparing phenoxypyridine derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-09-04 US disclosed
EP-1961750-A1 VLA-4 INHIBITORY DRUG Daiichi Sankyo Company, Limited (JP) 2008-08-27 EP disclosed
EP-1889836-A1 NOVEL PYRIDINE DERIVATIVE AND PYRIMIDINE DERIVATIVE (3) Eisai R&D Management Co., Ltd. (JP) 2008-02-20 EP disclosed
EP-0394991-B1 1-Azabicyclo(3.2.0)Hept-2-Ene-2-carboxylic acid compounds FUJISAWA PHARMACEUTICAL CO (JP) 1994-08-17 EP disclosed
US-5102877-A Carbapenicillin antibiotics FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1992-04-07 US disclosed
EP-0394991-A1 1-Azabicyclo(3.2.0)Hept-2-Ene-2-carboxylic acid compounds FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1990-10-31 EP disclosed
US-4200628-A ANTIBIOTICS, BACTERICIDES SHIONOGI & CO., LTD. (JP) 1980-04-29 US disclosed
EP-0001643-A2 Aminoglycoside derivatives, process for their manufacture, pharmaceutical compositions and carboxylic acids SHIONOGI & CO., LTD. (JP) 1979-05-02 EP 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-20250018046-A1 COMPOUNDS FOR TARGETING DEGRADATION OF IRAK4 PROTEINS IRAK4, IRAK2, IRAK1 CYP3A4 4108/4885CYP2D6 4626/4885CYP2C9 4847/4885
US-20260124205-A1 MODULATORS OF BETA CATENIN AND USES THEREOF CTNNB1, CTNNA1, CTNND1 CYP3A4 2366/4885CYP2D6 2689/4885CYP2C9 3684/4885
US-20080214815-A1 Process for preparing phenoxypyridine derivatives FIP1L1, SKP1, TET2 CYP3A4 574/4885CYP2D6 1887/4885CYP2C9 626/4885

“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.