SCHEMBL1381895

SCHEMBL1381895

CCCCCN1CCCC1C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 1/20 0.50
S1PR1 P21453 3/20 0.49
S1PR3 Q99500 3/20 0.49
S1PR5 Q9H228 3/20 0.49
S1PR4 O95977 1/20 0.49
OPRD1 P41143 1/20 0.46
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
KCNH2 Q12809 1/20 0.45
POLB P06746 1/20 0.45
TSHR P16473 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
BCHE P06276 7/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
GBA1 P04062 1/20 0.40

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
SCHEMBL1381896 1.00 NR1I2 (0.50) NR1I2S1PR1S1PR3S1PR5S1PR4
SCHEMBL7263459 0.98 S1PR1 (0.51) NR1I2S1PR1S1PR3S1PR5S1PR4
SCHEMBL9150667 0.98 S1PR1 (0.51) NR1I2S1PR1S1PR3S1PR5S1PR4
SCHEMBL28637428 0.98 S1PR1 (0.51) NR1I2S1PR1S1PR3S1PR5S1PR4
SCHEMBL20442187 0.98 S1PR1 (0.51) NR1I2S1PR1S1PR3S1PR5S1PR4
Ammonia Solution, Strong SCHEMBL8225849 0.98 NR1I2 (0.49) NR1I2S1PR1S1PR3S1PR5S1PR4
SCHEMBL8674297 0.98 S1PR1 (0.51) NR1I2S1PR1S1PR3S1PR5S1PR4
SCHEMBL9150671 0.98 S1PR1 (0.51) NR1I2S1PR1S1PR3S1PR5S1PR4
SCHEMBL5513172 0.98 S1PR1 (0.51) NR1I2S1PR1S1PR3S1PR5S1PR4
SCHEMBL8674295 0.98 S1PR1 (0.51) NR1I2S1PR1S1PR3S1PR5S1PR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104583228-B acyl dipeptide derivatives 味之素株式会社 2018-09-28 CN claimed
EP-2889306-B1 ACYL DIPEPTIDE DERIVATIVE AJINOMOTO KK (JP) 2018-09-19 EP claimed
CN-104661643-B Humectant and cosmetic containing the same 味之素株式会社 2018-04-20 CN claimed
EP-2832345-B1 COSMETIC COMPOSITION AJINOMOTO KK (JP) 2017-11-22 EP claimed
CN-107349125-A NMF and the cosmetics containing NMF 味之素株式会社 2017-11-17 CN claimed
CN-106455664-A Composition with high content of cyclic dipeptide 三得利控股株式会社 2017-02-22 CN claimed
CN-106456633-A Sugar metabolism improving agent 三得利控股株式会社 2017-02-22 CN claimed
CN-106214504-A Cosmetic combination 味之素株式会社 2016-12-14 CN claimed
US-9464110-B2 Acyl dipeptide derivative AJINOMOTO CO., INC. (JP) 2016-10-11 US claimed
CN-104244919-B Cosmetic composition 味之素株式会社 2016-06-29 CN claimed
US-20050215573-A1 Novel inhibitors of glutaminyl cyclase PROBIODRUG AG 2005-09-29 US claimed
WO-2005075436-A2 NOVEL INHIBITORS OF GLUTAMINYL CYCLASE PROBIODRUG AG (DE) 2005-08-18 WO claimed
US-20050171112-A1 Combinations useful for the treatment of neuronal disorders PROBIODRUG AG 2005-08-04 US claimed
WO-2005049027-A2 COMBINATIONS USEFUL FOR THE TREATMENT OF NEURONAL DISORDERS PROBIODRUG AG (DE) 2005-06-02 WO claimed
WO-2005012320-A2 NOVEL LINCOMYCIN DERIVATIVES POSSESSING ANTIMICROBIAL ACTIVITY VICURON PHARMACEUTICALS, INC. (US) 2005-02-10 WO claimed
WO-2004098591-A2 INHIBITORS OF GLUTAMINYL CYCLASE AND THEIR USE IN THE TREATMENT OF NEUROLOGICAL DISEASES PROBIODRUG AG (DE) 2004-11-18 WO claimed
US-20040224875-A1 Inhibitors of glutaminyl cyclase PROBIODRUG AG (DE) 2004-11-11 US claimed
WO-2003070243-A1 DI-ESTER DERIVATIVES AS SHORT ACTING NEUROMUSCULAR BLOCKERS THERASCI LIMITED (GB) 2003-08-28 WO claimed
EP-0275522-B1 Optically active 1-acyl-proline esters and their use as doping agents in liquid-crystal compositions HOECHST AG (DE) 1995-03-29 EP claimed
US-4915868-A Display element HOECHST AKTIENGESELLSCHAFT (DE) 1990-04-10 US claimed

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-20050171112-A1 Combinations useful for the treatment of neuronal disorders MME, DNPEP, DPP4 NR1I2 2443/4885S1PR1 3450/4885S1PR3 2713/4885
US-20040224875-A1 Inhibitors of glutaminyl cyclase GLS2, GLS, GLUL NR1I2 2474/4885S1PR1 4194/4885S1PR3 4577/4885
US-20050215573-A1 Novel inhibitors of glutaminyl cyclase GLS2, GLS, GLUL NR1I2 3225/4885S1PR1 3930/4885S1PR3 4472/4885

“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.