SCHEMBL5114345

SCHEMBL5114345

O=C(O)CN1CCN(c2ccc(F)cc2)CC1

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
REV1 Q9UBZ9 2/20 0.65
MAPT P10636 4/20 0.59
ALDH1A1 P00352 3/20 0.59
MAPK1 P28482 1/20 0.59
HTR1A P08908 1/20 0.58
LMNA P02545 3/20 0.58
GAA P10253 2/20 0.58
HTT P42858 1/20 0.58
S1PR1 P21453 1/20 0.57
ALOX15 P16050 1/20 0.57
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
RXFP1 Q9HBX9 1/20 0.55
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2D6 P10635 1/20 0.54
CYP2C19 P33261 1/20 0.54
DEGS1 O15121 1/20 0.54

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
Hydrochloric Acid SCHEMBL1373922 0.98 REV1 (0.63) REV1MAPTALDH1A1MAPK1HTR1A
SCHEMBL8002247 0.88 REV1 (0.62) REV1MAPTALDH1A1MAPK1HTR1A
SCHEMBL4179918 0.85 GAA (0.60) REV1MAPTALDH1A1MAPK1HTR1A
SCHEMBL3396020 0.85 REV1 (0.59) REV1MAPTALDH1A1MAPK1HTR1A
SCHEMBL8576314 0.85 REV1 (0.59) REV1MAPTALDH1A1MAPK1LMNA
SCHEMBL4179915 0.85 REV1 (0.59) REV1MAPTALDH1A1MAPK1HTR1A
SCHEMBL6301694 0.84 MAPT (0.72) MAPTALDH1A1HTR1AS1PR1ALOX15
SCHEMBL2114078 0.83 HTR1A (0.72) REV1ALDH1A1HTR1ALMNAGAA
SCHEMBL26373091 0.83 S1PR1 (0.61) REV1MAPTALDH1A1GAAS1PR1
SCHEMBL20271722 0.83 SMN1; SMN2 (0.68) MAPTALDH1A1MAPK1HTR1ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7329654-B2 Heteroatom containing tetracyclic derivatives as selective estrogen receptor modulators JANSSEN PHARMACEUTICA N.V. (BE) 2008-02-12 US claimed
EP-1467998-B1 TETRACYCLIC HETEROCOMPOUNDS AS ESTROGEN RECEPTOR MODULATORS ORTHO MCNEIL PHARM INC (US) 2006-03-29 EP claimed
EP-1467998-A1 TETRACYCLIC HETEROCOMPOUNDS AS ESTROGEN RECEPTOR MODULATORS Ortho-Mcneil Pharmaceutical, Inc. (US) 2004-10-20 EP claimed
US-20030216463-A1 Novel heteroatom containing tetracyclic derivatives as selective estrogen receptor modulators ORTHO-MCNEIL PHARMACEUTICAL, INC. 2003-11-20 US claimed
WO-2003053977-A1 TETRACYCLIC HETEROCOMPOUNDS AS ESTROGEN RECEPTOR MODULATORS ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2003-07-03 WO claimed
US-11771684-B2 Inhibitors of dihydroceramide desaturase for treating disease CENTAURUS THERAPEUTICS (US) 2023-10-03 US disclosed
US-11771684-B2 Inhibitors of dihydroceramide desaturase for treating disease CENTAURUS THERAPEUTICS (US) 2023-10-03 US disclosed
US-11771684-B2 Inhibitors of dihydroceramide desaturase for treating disease CENTAURUS THERAPEUTICS (US) 2023-10-03 US disclosed
US-20220079926-A1 INHIBITORS OF DIHYDROCERAMIDE DESATURASE FOR TREATING DISEASE CENTAURUS THERAPEUTICS 2022-03-17 US disclosed
US-11135207-B2 Inhibitors of dihydroceramide desaturase for treating disease CENTAURUS THERAPEUTICS (US) 2021-10-05 US disclosed
US-11135207-B2 Inhibitors of dihydroceramide desaturase for treating disease CENTAURUS THERAPEUTICS (US) 2021-10-05 US disclosed
US-20190328720-A1 INHIBITORS OF DIHYDROCERAMIDE DESATURASE FOR TREATING DISEASE CENTAURUS THERAPEUTICS 2019-10-31 US disclosed
US-20040259915-A1 Novel heteroatom containing tetracyclic derivatives as selective estrogen receptor modulators KANOJIA RAMESH M (US) 2004-12-23 US disclosed
EP-1467998-A1 TETRACYCLIC HETEROCOMPOUNDS AS ESTROGEN RECEPTOR MODULATORS Ortho-Mcneil Pharmaceutical, Inc. (US) 2004-10-20 EP disclosed
WO-2004050660-A1 NOVEL HETEROATOM CONTAINING TETRACYCLIC DERIVATIVES AS SELECTIVE ESTROGEN RECEPTOR MODULATORS ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2004-06-17 WO disclosed
US-20030216463-A1 Novel heteroatom containing tetracyclic derivatives as selective estrogen receptor modulators ORTHO-MCNEIL PHARMACEUTICAL, INC. 2003-11-20 US disclosed
WO-2003053977-A1 TETRACYCLIC HETEROCOMPOUNDS AS ESTROGEN RECEPTOR MODULATORS ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2003-07-03 WO disclosed
US-5378690-A Treatment of angiotensin induced hypertension SANKYO COMPANY, LIMITED (JP) 1995-01-03 US disclosed
EP-0274259-B1 New renin-inhibitory oligopeptides, their preparaton and their use SANKYO CO (JP) 1994-02-16 EP disclosed
EP-0274259-A2 New renin-inhibitory oligopeptides, their preparaton and their use Sankyo Company Limited (JP) 1988-07-13 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 (6 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-20220079926-A1 INHIBITORS OF DIHYDROCERAMIDE DESATURASE FOR TREATING DISEASE CERS2, DEGS1, SMPD1 REV1 1000/4885MAPT 4170/4885ALDH1A1 647/4885
US-11771684-B2 Inhibitors of dihydroceramide desaturase for treating disease CERS2, DEGS1, SMPD1 REV1 1000/4885MAPT 4170/4885ALDH1A1 647/4885
US-20040259915-A1 Novel heteroatom containing tetracyclic derivatives as selective estrogen receptor modulators GPER1, ESR2, FSHR REV1 2844/4885MAPT 1656/4885ALDH1A1 2801/4885
US-20030216463-A1 Novel heteroatom containing tetracyclic derivatives as selective estrogen receptor modulators GPER1, ESR2, FSHR REV1 2844/4885MAPT 1656/4885ALDH1A1 2801/4885
US-11135207-B2 Inhibitors of dihydroceramide desaturase for treating disease CERS2, DEGS1, SMPD1 REV1 1000/4885MAPT 4170/4885ALDH1A1 647/4885
US-20190328720-A1 INHIBITORS OF DIHYDROCERAMIDE DESATURASE FOR TREATING DISEASE CERS2, DEGS1, SMPD1 REV1 1000/4885MAPT 4170/4885ALDH1A1 647/4885

“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.