SCHEMBL15664773

SCHEMBL15664773

CCCCN1CCC[C@@H]1C(N)=O

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 1/20 0.53
SMN1; SMN2 Q16637 2/20 0.48
POLB P06746 2/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
KCNH2 Q12809 1/20 0.48
TSHR P16473 1/20 0.48
BCHE P06276 2/20 0.48
S1PR1 P21453 3/20 0.42
S1PR3 Q99500 3/20 0.42
S1PR5 Q9H228 3/20 0.42
S1PR4 O95977 1/20 0.42
OPRD1 P41143 1/20 0.40
KCNK3 O14649 1/20 0.39
LMNA P02545 1/20 0.39
GBA2 Q9HCG7 2/20 0.38
SPHK1 Q9NYA1 3/20 0.38
SPHK2 Q9NRA0 2/20 0.38

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
SCHEMBL7278054 1.00 NR1I2 (0.53) NR1I2SMN1; SMN2POLBCYP3A4CYP2D6
Hydrochloric Acid SCHEMBL27415879 0.98 NR1I2 (0.52) NR1I2SMN1; SMN2POLBCYP3A4CYP2D6
Acetic Acid SCHEMBL27390252 0.95 NR1I2 (0.50) NR1I2SMN1; SMN2POLBCYP3A4CYP2D6
SCHEMBL8958766 0.95 BCHE (0.54) NR1I2SMN1; SMN2POLBCYP3A4CYP2D6
SCHEMBL20143210 0.95 SMN1; SMN2 (0.53) NR1I2SMN1; SMN2POLBCYP3A4CYP2D6
SCHEMBL1825154 0.95 BCHE (0.54) NR1I2SMN1; SMN2POLBCYP3A4CYP2D6
SCHEMBL9044282 0.95 SMN1; SMN2 (0.53) NR1I2SMN1; SMN2POLBCYP3A4CYP2D6
SCHEMBL8501215 0.93 BCHE (0.56) NR1I2SMN1; SMN2POLBCYP3A4CYP2D6
SCHEMBL16618489 0.93 BCHE (0.56) NR1I2SMN1; SMN2POLBCYP3A4CYP2D6
SCHEMBL10983481 0.93 BCHE (0.56) NR1I2SMN1; SMN2POLBCYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140127762-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE ALPHA-SUBSTITUTED PROLINE API CORPORATION (JP) 2014-05-08 US 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-20140127762-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE ALPHA-SUBSTITUTED PROLINE PREP, NPEPPS, DNPEP NR1I2 4467/4885SMN1; SMN2 3772/4885POLB 1208/4885

“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.