SCHEMBL4633428

SCHEMBL4633428

C=CCC(C)Oc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.46
MTNR1B P49286 1/20 0.46
CYP2C19 P33261 1/20 0.39
LMNA P02545 1/20 0.38
CHRNB4 P30926 2/20 0.38
CHRNA3 P32297 2/20 0.38
LTA4H P09960 1/20 0.37
POLB P06746 1/20 0.36
ALDH1A1 P00352 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KDM4E B2RXH2 1/20 0.36
SLC6A4 P31645 1/20 0.36
MAOA P21397 1/20 0.35
PTGS1 P23219 1/20 0.35
CA4 P22748 1/20 0.34

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
SCHEMBL1454571 0.82 MTNR1A (0.47) MTNR1AMTNR1BCYP2C19LMNACHRNB4
SCHEMBL18889915 0.81 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2SLC6A4
SCHEMBL8733440 0.80 MTNR1A (0.50) MTNR1AMTNR1BCYP2C19LMNACHRNB4
SCHEMBL11516903 0.80 MTNR1A (0.46) MTNR1AMTNR1BCYP2C19LMNACHRNB4
SCHEMBL1778182 0.79 CYP2C19 (0.41) MTNR1AMTNR1BCYP2C19LTA4HPOLB
SCHEMBL2853850 0.78 MTNR1A (0.45) MTNR1AMTNR1BLMNACHRNB4CHRNA3
SCHEMBL27435937 0.78 APP (0.38) MTNR1AMTNR1BALDH1A1
SCHEMBL10449438 0.78 LMNA (0.42) MTNR1AMTNR1BCYP2C19LMNAPOLB
SCHEMBL4711438 0.78 CYP2C19 (0.40) MTNR1AMTNR1BCYP2C19LTA4HALDH1A1
SCHEMBL27526890 0.77 MTNR1A (0.44) MTNR1AMTNR1BLMNACHRNB4CHRNA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022137240-A1 METHACRYLAMIDES PROTEIN BINDERS AND USES THEREOF YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2022-06-30 WO disclosed
US-10301297-B2 Substituted nicotinimide inhibitors of BTK and their preparation and use in the treatment of cancer, inflammation and autoimmune disease GUANGZHOU INNOCARE PHARMA TECH CO., LTD. (CN) 2019-05-28 US disclosed
US-20180222897-A1 SUBSTITUTED NICOTINIMIDE INHIBITORS OF BTK AND THEIR PREPARATION AND USE IN THE TREATMENT OF CANCER, INFLAMMATION AND AUTOIMMUNE DISEASE GUANGZHOU INNOCARE PHARMA TECH CO., LTD. (CN) 2018-08-09 US disclosed
EP-2307025-B1 INHIBITORS OF BRUTON'S TYROSINE KINASE FOR THE TREATMENT OF SOLID TUMORS PHARMACYCLICS LLC (US) 2017-09-20 EP disclosed
US-20170246169-A1 Inhibitors of Bruton's Tyrosine Kinase for the Treatment of Solid Tumors PHARMACYCLICS, INC. 2017-08-31 US disclosed
EP-3204360-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF Genentech, Inc. (US) 2017-08-16 EP disclosed
WO-2016055028-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2016-04-14 WO disclosed
EP-1530080-B1 Silver halide color photographic light-sensitive material FUJIFILM CORP (JP) 2008-10-29 EP disclosed
US-7241563-B2 Silver halide color photographic light-sensitive material FUJIFILM CORPORATION (JP) 2007-07-10 US disclosed
US-20050100835-A1 Silver halide color photographic light-sensitive material FUJI PHOTO FILM CO., LTD. 2005-05-12 US disclosed
EP-1530080-A1 Silver halide color photographic light-sensitive material FUJI PHOTO FILM CO., LTD. (JP) 2005-05-11 EP disclosed
WO-1991005750-A2 PROCESS FOR PRODUCING FLUORINATED ORGANIC COMPOUNDS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1991-05-02 WO disclosed
US-4361573-A α,α-Diaryl-β-(tert-amino)-propanols and diuretic pharmaceutical compositions containing them TEMMLER AG (CH) 1982-11-30 US disclosed
US-4025633-A DIURETICS, SALURETICS FIRMA TEMMLER A.G. (CH) 1977-05-24 US 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-20180222897-A1 SUBSTITUTED NICOTINIMIDE INHIBITORS OF BTK AND THEIR PREPARATION AND USE IN THE TREATMENT OF CANCER, INFLAMMATION AND AUTOIMMUNE DISEASE BTK, SYK, LYN MTNR1A 4174/4885MTNR1B 3598/4885CYP2C19 1466/4885
US-10301297-B2 Substituted nicotinimide inhibitors of BTK and their preparation and use in the treatment of cancer, inflammation and autoimmune disease BTK, SYK, LYN MTNR1A 4174/4885MTNR1B 3598/4885CYP2C19 1466/4885
US-20170246169-A1 Inhibitors of Bruton's Tyrosine Kinase for the Treatment of Solid Tumors BTK, ABL1, LYN MTNR1A 4833/4885MTNR1B 4774/4885CYP2C19 3317/4885

“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.