SCHEMBL4284221

SCHEMBL4284221

NCc1ccc(C(O)CN)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.64
NFKB1 P19838 3/20 0.64
TSHR P16473 2/20 0.64
HIF1A Q16665 2/20 0.64
HTR3A P46098 1/20 0.64
TDP1 Q9NUW8 4/20 0.61
KDM4E B2RXH2 4/20 0.61
APEX1 P27695 3/20 0.61
ALOX15 P16050 1/20 0.61
BLM P54132 5/20 0.52
MAPT P10636 3/20 0.52
RECQL P46063 3/20 0.52
HPGD P15428 2/20 0.52
LMNA P02545 2/20 0.52
MAPK1 P28482 2/20 0.52
MEN1 O00255 1/20 0.52
ADRB2 P07550 1/20 0.52
ADRB1 P08588 1/20 0.52
ADRA2A P08913 1/20 0.52
ADORA3 P0DMS8 1/20 0.52

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 SCHEMBL3669220 0.98 APEX1 (0.65) TAAR1NFKB1TSHRHIF1AHTR3A
SCHEMBL4074768 0.87 TAAR1 (0.80) TAAR1NFKB1TSHRHIF1AHTR3A
SCHEMBL27577466 0.84 ABAT (0.46) TAAR1NFKB1TSHRHIF1AHTR3A
SCHEMBL27718584 0.82 ABAT (0.44) TAAR1NFKB1TSHRHIF1AHTR3A
SCHEMBL7150334 0.82 TAAR1 (0.59) TAAR1NFKB1TSHRHIF1AHTR3A
SCHEMBL9639314 0.82 TAAR1 (0.59) TAAR1NFKB1TSHRHIF1AHTR3A
SCHEMBL27404752 0.82 ABAT (0.44) TAAR1NFKB1TSHRHIF1AHTR3A
SCHEMBL7146297 0.82 TAAR1 (0.59) TAAR1NFKB1TSHRHIF1AHTR3A
SCHEMBL6612632 0.82 LMNA (0.56) TAAR1NFKB1TSHRHIF1AHTR3A
SCHEMBL27543042 0.82 ABAT (0.44) TAAR1NFKB1TSHRHIF1AHTR3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109734643-A The method that iron catalytic amino alcohol synthesizes pyrrolines with enol 陕西师范大学 2019-05-10 CN disclosed
CN-104557757-A CETP inhibitors MERCK & CO INC 2015-04-29 CN disclosed
CN-104447603-A CETP inhibitors MERCK SHARP & DOHME 2015-03-25 CN disclosed
CN-102304096-B CETP inhibitors MERCK SHARP & DOHME 2014-12-03 CN disclosed
CN-102311401-B CETP inhibitors MERCK & CO INC 2014-12-03 CN disclosed
CN-102311401-A CETP INHIBITORS MERCK & CO INC 2012-01-11 CN disclosed
CN-102304096-A CETP inhibitors MERCK SHARP & DOHME 2012-01-04 CN disclosed
CN-101500594-A Methods and compositions for treating ophthalmic conditions via modulation of megalin activity SIRION THERAPEUTICS INC (US) 2009-08-05 CN disclosed
US-20090098145-A1 METHODS AND COMPOSITIONS FOR TREATING OPHTHALMIC CONDITIONS VIA MODULATION OF MEGALIN ACTIVITY SIRION THERAPEUTICS, INC. (US) 2009-04-16 US disclosed
US-20090098145-A1 METHODS AND COMPOSITIONS FOR TREATING OPHTHALMIC CONDITIONS VIA MODULATION OF MEGALIN ACTIVITY SIRION THERAPEUTICS, INC. (US) 2009-04-16 US disclosed
US-20090098145-A1 METHODS AND COMPOSITIONS FOR TREATING OPHTHALMIC CONDITIONS VIA MODULATION OF MEGALIN ACTIVITY SIRION THERAPEUTICS, INC. (US) 2009-04-16 US disclosed
WO-2007150046-A2 METHODS AND COMPOSITIONS FOR TREATING OPHTHALMIC CONDITIONS VIA MODULATION OF MEGALIN ACTIVITY SIRION THERAPEUTICS, INC (US) 2007-12-27 WO disclosed
CN-1980904-A CETP inhibitors MERCK & CO INC (US) 2007-06-13 CN 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 (1 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-20090098145-A1 METHODS AND COMPOSITIONS FOR TREATING OPHTHALMIC CONDITIONS VIA MODULATION OF MEGALIN ACTIVITY ALDH1A2, PDE6C, EYA2 TAAR1 3952/4885NFKB1 2367/4885TSHR 3425/4885

“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.