Sugi Predict

Sugi Predict / Compounds / SCHEMBL2587055

SCHEMBL2587055

SCHEMBL2587055

O=C(O)[C@H]1CCCN1Cc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.60
▸ CYP2C19 P33261 1/20 0.59
▸ NPSR1 Q6W5P4 1/20 0.57
▸ SMN1; SMN2 Q16637 1/20 0.57
▸ SPHK1 Q9NYA1 1/20 0.56
▸ CCR4 P51679 1/20 0.52
▸ GRM6 O15303 1/20 0.51
▸ CD274 Q9NZQ7 7/20 0.51
▸ PDCD1 Q15116 2/20 0.51
▸ OPRL1 P41146 2/20 0.49
▸ OPRM1 P35372 1/20 0.49
▸ OPRK1 P41145 1/20 0.49
▸ MCHR1 Q99705 1/20 0.49

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
SCHEMBL1819248 1.00 CYP1A2 (0.60) CYP1A2CYP2C19NPSR1SMN1; SMN2SPHK1
SCHEMBL1972076 1.00 CYP1A2 (0.60) CYP1A2CYP2C19NPSR1SMN1; SMN2SPHK1
Hydrochloric Acid SCHEMBL992441 0.98 CYP1A2 (0.59) CYP1A2CYP2C19NPSR1SMN1; SMN2SPHK1
Hydrochloric Acid SCHEMBL20790624 0.98 CYP1A2 (0.59) CYP1A2CYP2C19NPSR1SMN1; SMN2SPHK1
Hydrochloric Acid SCHEMBL992443 0.98 CYP1A2 (0.59) CYP1A2CYP2C19NPSR1SMN1; SMN2SPHK1
SCHEMBL3713831 0.95 SMN1; SMN2 (0.63) CYP1A2CYP2C19NPSR1SMN1; SMN2SPHK1
SCHEMBL16714062 0.95 SMN1; SMN2 (0.63) CYP1A2CYP2C19NPSR1SMN1; SMN2SPHK1
SCHEMBL3713829 0.95 SMN1; SMN2 (0.63) CYP1A2CYP2C19NPSR1SMN1; SMN2SPHK1
Hydrochloric Acid SCHEMBL2500262 0.94 SMN1; SMN2 (0.61) CYP1A2CYP2C19NPSR1SMN1; SMN2SPHK1
Hydrochloric Acid SCHEMBL7742897 0.94 SMN1; SMN2 (0.61) CYP1A2CYP2C19NPSR1SMN1; SMN2SPHK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011138795-A2 PROCESS FOR PREPARING (S)-10-ACETOXY-10,11-DIHYDRO-5H-DIBENZ[B,F] AZEPINE-5-CARBOXAMIDE MSN LABORATORIES LIMITED (IN) 2011-11-10 — — WO claimed
WO-2005085178-A1 METHOD OF PREPARING OPTICALLY ACTIVE SERINE DERIVATIVE ESTECHPHARMA CO., LTD. (KR) 2005-09-15 — — WO claimed
US-12016835-B2 Neprilysin inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2024-06-25 — — US disclosed
US-20230285340-A1 NEPRILYSIN INHIBITORS THERAVANCE BIOPHARMA R&D IP LLC (US) 2023-09-14 — — US disclosed
US-10577374-B2 Bruton's tyrosine kinase inhibitors SUNESIS PHARMACEUTICALS, INC. (US) 2020-03-03 — — US disclosed
US-20180194718-A1 NEPRILYSIN INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2018-07-12 — — US disclosed
US-10005740-B2 Neprilysin inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2018-06-26 — — US disclosed
US-10005740-B2 Neprilysin inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2018-06-26 — — US disclosed
WO-2018090670-A1 METHOD FOR PREPARING DROXIDOPA AND INTERMEDIATE THEREOF 广东东阳光药业有限公司 2018-05-24 — — WO disclosed
US-20180118696-A1 NEPRILYSIN INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2018-05-03 — — US disclosed
US-20180118696-A1 NEPRILYSIN INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2018-05-03 — — US disclosed
WO-2011138795-A2 PROCESS FOR PREPARING (S)-10-ACETOXY-10,11-DIHYDRO-5H-DIBENZ[B,F] AZEPINE-5-CARBOXAMIDE MSN LABORATORIES LIMITED (IN) 2011-11-10 — — WO disclosed
WO-2011138795-A2 PROCESS FOR PREPARING (S)-10-ACETOXY-10,11-DIHYDRO-5H-DIBENZ[B,F] AZEPINE-5-CARBOXAMIDE MSN LABORATORIES LIMITED (IN) 2011-11-10 — — WO disclosed
US-20100076015-A1 Aminopyridine Derivatives VANTIA LIMITED (GB) 2010-03-25 — — US disclosed
WO-2009133348-A1 AMINOPYRIDINE DERIVATIVES VANTIA LIMITED (GB) 2009-11-05 — — WO disclosed
US-20080108830-A1 Production method of optically active 2-[(N-benzylprolyl)amino]benzo-phenone compound AJINOMOTO CO. INC (JP) 2008-05-08 — — US disclosed
EP-1918276-A1 Production method of optically active 2- [ (N-Benzylprolyl) Amino ] Benzophenone compound Ajinomoto Co., Inc. (JP) 2008-05-07 — — EP disclosed
US-20060183888-A1 Pyrrolysine synthesis and modification NIH - DEITR 2006-08-17 — — US disclosed
US-20060166319-A1 Charging tRNA with pyrrolysine NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2006-07-27 — — US disclosed
WO-2005085178-A1 METHOD OF PREPARING OPTICALLY ACTIVE SERINE DERIVATIVE ESTECHPHARMA CO., LTD. (KR) 2005-09-15 — — WO 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 (9 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-20100076015-A1 Aminopyridine Derivatives CHRM1, ARG1, ARG2 CYP1A2 130/4885CYP2C19 186/4885NPSR1 830/4885
US-20230285340-A1 NEPRILYSIN INHIBITORS MME, REN, ACE CYP1A2 3048/4885CYP2C19 1447/4885NPSR1 26/4885
US-20060183888-A1 Pyrrolysine synthesis and modification PTMS, QPCTL, DNPEP CYP1A2 3725/4885CYP2C19 2756/4885NPSR1 1156/4885
US-10005740-B2 Neprilysin inhibitors MME, REN, AGTR1 CYP1A2 3102/4885CYP2C19 1370/4885NPSR1 24/4885
US-20080108830-A1 Production method of optically active 2-[(N-benzylprolyl)amino]benzo-phenone compound NPEPPS, SYMPK, REN CYP1A2 992/4885CYP2C19 458/4885NPSR1 2415/4885
US-20180194718-A1 NEPRILYSIN INHIBITORS MME, REN, ACE CYP1A2 3344/4885CYP2C19 1679/4885NPSR1 24/4885
US-10577374-B2 Bruton's tyrosine kinase inhibitors BTK, ABL1, SYK CYP1A2 4562/4885CYP2C19 3076/4885NPSR1 4436/4885
US-20180118696-A1 NEPRILYSIN INHIBITORS MME, REN, AGTR1 CYP1A2 3102/4885CYP2C19 1370/4885NPSR1 24/4885
US-12016835-B2 Neprilysin inhibitors MME, REN, ACE CYP1A2 3048/4885CYP2C19 1447/4885NPSR1 26/4885

“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.