SCHEMBL1825154

SCHEMBL1825154

CCCCCN1CCC[C@H]1C(N)=O

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BCHE P06276 7/20 0.54
NR1I2 O75469 1/20 0.49
S1PR1 P21453 3/20 0.48
S1PR3 Q99500 3/20 0.48
S1PR5 Q9H228 3/20 0.48
S1PR4 O95977 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
KCNH2 Q12809 1/20 0.44
POLB P06746 1/20 0.44
TSHR P16473 1/20 0.44
OPRD1 P41143 1/20 0.42
SPHK1 Q9NYA1 4/20 0.40
SPHK2 Q9NRA0 3/20 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
SCHEMBL8958766 1.00 BCHE (0.54) BCHENR1I2S1PR1S1PR3S1PR5
SCHEMBL16618489 0.98 BCHE (0.56) BCHENR1I2S1PR1S1PR3S1PR5
SCHEMBL10983481 0.98 BCHE (0.56) BCHENR1I2S1PR1S1PR3S1PR5
SCHEMBL8501215 0.98 BCHE (0.56) BCHENR1I2S1PR1S1PR3S1PR5
Hydrochloric Acid SCHEMBL7769067 0.97 BCHE (0.55) BCHENR1I2S1PR1S1PR3S1PR5
SCHEMBL3231146 0.95 SMN1; SMN2 (0.49) BCHENR1I2S1PR1S1PR3S1PR5
SCHEMBL7278054 0.95 NR1I2 (0.53) BCHENR1I2S1PR1S1PR3S1PR5
SCHEMBL15664773 0.95 NR1I2 (0.53) BCHENR1I2S1PR1S1PR3S1PR5
SCHEMBL27522848 0.94 BCHE (0.51) BCHENR1I2S1PR1S1PR3S1PR5
Hydrochloric Acid SCHEMBL27415879 0.93 NR1I2 (0.52) BCHENR1I2S1PR1S1PR3S1PR5

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
US-20110124569-A1 MACROCYCLIC COMPOUNDS, PROTEASE INHIBITION, AND METHODS OF TREATMENT UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2011-05-26 US claimed
EP-0692470-A1 Process for the preparation of optically active 1-substituted-2-(aminomethyl)pyrrolidine derivatives Degussa Aktiengesellschaft (DE) 1996-01-17 EP claimed
JP-8169877-A None JP disclosed
JP-H08169877-A PRODUCTION OF OPTICALLY ACTIVE 1-SUBSTITUTED 2-(AMINOMETHYL)PYRROLIDINE DEGUSSA AG 1996-07-02 JP disclosed
EP-0692470-A1 Process for the preparation of optically active 1-substituted-2-(aminomethyl)pyrrolidine derivatives Degussa Aktiengesellschaft (DE) 1996-01-17 EP disclosed
EP-0692470-A1 Process for the preparation of optically active 1-substituted-2-(aminomethyl)pyrrolidine derivatives Degussa Aktiengesellschaft (DE) 1996-01-17 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 (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-20110124569-A1 MACROCYCLIC COMPOUNDS, PROTEASE INHIBITION, AND METHODS OF TREATMENT PREP, SERPINB1, CTSC BCHE 417/4885NR1I2 4003/4885S1PR1 1278/4885

“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.