SCHEMBL13324992

SCHEMBL13324992

O=C1CC=C(c2ccc(Br)cc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.46
GAA P10253 2/20 0.38
ALDH1A1 P00352 3/20 0.34
MAPK1 P28482 1/20 0.34
MEN1 O00255 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34
TSHR P16473 1/20 0.33
CYP2A6 P11509 1/20 0.33
MMP2 P08253 1/20 0.32
CA12 O43570 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
MAT2A P31153 1/20 0.32
SIGMAR1 Q99720 2/20 0.32
TDP2 O95551 1/20 0.32
PTPRC P08575 1/20 0.32
GALR1 P47211 1/20 0.32
ALOX12 P18054 1/20 0.31
PRKDC P78527 1/20 0.30

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
Ethylene SCHEMBL8881026 0.96 HTR2C (0.43) HTR2CGAAALDH1A1MAPK1MEN1
SCHEMBL9913551 0.79 HTR2C (0.52) HTR2CGAAALDH1A1MAPK1MEN1
SCHEMBL613532 0.79 QDPR (0.46) ALDH1A1MEN1MAPTKMT2ACA12
SCHEMBL10131895 0.79 GAA (0.38) GAAALDH1A1MEN1KMT2AMMP2
SCHEMBL11829890 0.79 SIGMAR1 (0.46) HTR2CGAAALDH1A1MAPTKMT2A
SCHEMBL20010955 0.79 MAT2A (0.43) HTR2CALDH1A1MAT2ASIGMAR1
SCHEMBL6851839 0.79 MAPT (0.39) GAAALDH1A1MAPTTSHRSIGMAR1
SCHEMBL10198086 0.78 MAT2A (0.45) HTR2CALDH1A1MEN1MAPTKMT2A
SCHEMBL20010406 0.77 PTGS2 (0.37) SIGMAR1
Ethylene SCHEMBL13736597 0.76 SIGMAR1 (0.43) HTR2CGAAALDH1A1MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3421467-A1 5-PHENYLAZAINDOLE DERIVATIVE HAVING AMPK ACTIVATING EFFECT Shionogi & Co., Ltd (JP) 2019-01-02 EP disclosed
WO-2018054365-A1 NOVEL 5 or 8-SUBSTITUTED IMIDAZO [1, 5-a] PYRIDINES AS SELECTIVE INHIBITORS OF INDOLEAMINE AND/OR TRYPTOPHANE 2, 3-DIOXYGENASES BEIGENE, LTD. (KY) 2018-03-29 WO disclosed
WO-2017146186-A1 5-PHENYLAZAINDOLE DERIVATIVE HAVING AMPK ACTIVATING EFFECT 塩野義製薬株式会社 2017-08-31 WO disclosed
US-7718645-B2 Substituted bicyclolactam compounds PFIZER INC. (US) 2010-05-18 US disclosed
US-20090137551-A1 Substituted Bicyclolactam Compounds PFIZER INC 2009-05-28 US disclosed
US-20090036425-A1 SUBSTITUTED BICYCLOLACTAM COMPOUNDS PFIZER INC 2009-02-05 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 (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-20090137551-A1 Substituted Bicyclolactam Compounds CHRM2, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CXCR2 HTR2C 3933/4885GAA 4277/4885ALDH1A1 1317/4885
US-20090036425-A1 SUBSTITUTED BICYCLOLACTAM COMPOUNDS CHRM2, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CXCR2 HTR2C 3933/4885GAA 4277/4885ALDH1A1 1317/4885

“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.