SCHEMBL4996353

SCHEMBL4996353

C[C@@H]1CCCN(C(=O)[C@H]2Cc3ccccc3N2C(=O)O)C1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.51
LMNA P02545 1/20 0.51
CHRM2 P08172 1/20 0.48
CHRM4 P08173 1/20 0.48
CHRM1 P11229 1/20 0.48
CHRM3 P20309 1/20 0.48
HPGD P15428 2/20 0.47
TP53 P04637 2/20 0.46
ALDH1A1 P00352 2/20 0.45
KDM4E B2RXH2 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C19 P33261 1/20 0.45
RAB9A P51151 1/20 0.45
NPC1 O15118 2/20 0.44
PKM P14618 1/20 0.44
TSHR P16473 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
NAMPT P43490 1/20 0.43

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
SCHEMBL4996339 1.00 SMN1; SMN2 (0.51) SMN1; SMN2LMNACHRM2CHRM4CHRM1
SCHEMBL5005183 1.00 SMN1; SMN2 (0.51) SMN1; SMN2LMNACHRM2CHRM4CHRM1
SCHEMBL4993635 1.00 SMN1; SMN2 (0.51) SMN1; SMN2LMNACHRM2CHRM4CHRM1
SCHEMBL5002871 1.00 SMN1; SMN2 (0.51) SMN1; SMN2LMNACHRM2CHRM4CHRM1
SCHEMBL27712775 0.85 CHRM2 (0.44) SMN1; SMN2LMNACHRM2CHRM4CHRM1
SCHEMBL4999589 0.85 NOTUM (0.47) TP53
SCHEMBL4995964 0.85 NOTUM (0.47) TP53
SCHEMBL4999585 0.85 NOTUM (0.47) TP53
SCHEMBL4995972 0.85 NOTUM (0.47) TP53
SCHEMBL5005143 0.85 NOTUM (0.47) TP53

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-20080221114-A1 2-(Cyclic Aminocarbonyl) Indoline Derivative and Medicinal Composition Containing the Same DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2008-09-11 US disclosed
EP-1840126-A1 2-(CYCLIC AMINOCARBONYL)INDOLINE DERIVATIVE AND MEDICINAL COMPOSITION CONTAINING THE SAME Dainippon Sumitomo Pharma Co., Ltd. (JP) 2007-10-03 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-20080221114-A1 2-(Cyclic Aminocarbonyl) Indoline Derivative and Medicinal Composition Containing the Same CYP11B2, CYP11B1, GRIN2A SMN1; SMN2 2614/4885LMNA 1450/4885CHRM2 69/4885

“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.