SCHEMBL12167482

SCHEMBL12167482

CC[C@]1(C)CN(C(=O)OCc2ccccc2)C[C@H]1CF

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORC P51449 4/20 0.48
SMN1; SMN2 Q16637 3/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
CYP2C19 P33261 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
HTR2C P28335 2/20 0.43
HTT P42858 1/20 0.41
PDK1 Q15118 1/20 0.41
PDK2 Q15119 1/20 0.41
PDK3 Q15120 1/20 0.41
PDK4 Q16654 1/20 0.41
KDM1A O60341 1/20 0.40
NR1I2 O75469 1/20 0.39
HTR1A P08908 1/20 0.39
ADRA2A P08913 1/20 0.39
ADRA2B P18089 1/20 0.39
ADRA2C P18825 1/20 0.39

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
SCHEMBL10306171 0.89 RORC (0.45) RORCSMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL4176771 0.85 RORC (0.48) RORCSMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL4176769 0.85 RORC (0.48) RORCSMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL12167385 0.84 SMN1; SMN2 (0.49) RORCSMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL3976642 0.83 RORC (0.46) RORCSMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL10306100 0.83 RORC (0.46) RORCSMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL12167436 0.81 SMN1; SMN2 (0.50) RORCSMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL10306168 0.80 SMN1; SMN2 (0.44) RORCSMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL4191169 0.79 SMN1; SMN2 (0.48) RORCSMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL4191175 0.79 SMN1; SMN2 (0.48) RORCSMN1; SMN2NPC1RAB9ACYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8476429-B2 Tri-, tetra-substituted-3-aminopyrrolidine derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-07-02 US disclosed
US-20120232288-A1 TRI-, TETRA-SUBSTITUTED-3-AMINOPYRROLIDINE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2012-09-13 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-20120232288-A1 TRI-, TETRA-SUBSTITUTED-3-AMINOPYRROLIDINE DERIVATIVE TLR5, TEAD4, NAALAD2 RORC 1578/4885SMN1; SMN2 4709/4885NPC1 4514/4885

“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.