SCHEMBL4852959

SCHEMBL4852959

CCn1cc(C2CCN(C(=O)CCc3ccccc3)C2)c2ccccc21

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.53
HPGD P15428 1/20 0.53
ALDH1A1 P00352 3/20 0.49
POLB P06746 2/20 0.48
NPC1 O15118 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
TPSAB1 Q15661 1/20 0.46
KMT2A Q03164 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
HRH2 P25021 3/20 0.44
HTR2A P28223 1/20 0.44
HTR2C P28335 1/20 0.44
HTR2B P41595 1/20 0.44
LMNA P02545 1/20 0.42
FKBP1A P62942 1/20 0.42
TSHR P16473 1/20 0.42
CREBBP Q92793 1/20 0.42

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
SCHEMBL4859827 0.84 SLC2A1 (0.61) SMN1; SMN2HPGDALDH1A1TDP1KMT2A
SCHEMBL5205779 0.83 HRH2 (0.49) SMN1; SMN2HPGDALDH1A1HRH2HTR2A
SCHEMBL5204952 0.81 HRH2 (0.55) ALDH1A1TPSAB1HRH2HTR2AHTR2C
SCHEMBL5202510 0.78 HSD11B1 (0.55) SMN1; SMN2ALDH1A1TPSAB1KMT2AHRH2
SCHEMBL5203757 0.77 NPC1 (0.57) SMN1; SMN2ALDH1A1NPC1TPSAB1KMT2A
SCHEMBL14559252 0.76 KDM4E (0.51) SMN1; SMN2ALDH1A1POLBKMT2AL3MBTL1
SCHEMBL2133791 0.76 ALDH1A1 (0.74) SMN1; SMN2HPGDALDH1A1POLBNPC1
SCHEMBL5204533 0.76 ALDH1A1 (0.46) SMN1; SMN2HPGDALDH1A1NPC1TDP1
SCHEMBL5202100 0.76 ALDH1A1 (0.51) SMN1; SMN2ALDH1A1POLBTPSAB1KMT2A
SCHEMBL5203151 0.75 ALDH1A1 (0.50) ALDH1A1KMT2AHRH2CREBBP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1654253-B1 SUBSTITUTED 3-PYRROLIDIN-INDOLE DERIVATIVES GRUENENTHAL GMBH (DE) 2007-01-03 EP claimed
US-7368470-B2 Substituted 3-pyrrolidine-indole derivatives GRUENENTHAL GMBH (DE) 2008-05-06 US disclosed
EP-1654253-B1 SUBSTITUTED 3-PYRROLIDIN-INDOLE DERIVATIVES GRUENENTHAL GMBH (DE) 2007-01-03 EP disclosed
US-20050096376-A1 Substituted 3-pyrrolidine-indole derivatives GRUENENTHAL GMBH (DE) 2005-05-05 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-20050096376-A1 Substituted 3-pyrrolidine-indole derivatives OPRD1, OPRK1, TPH1 SMN1; SMN2 2439/4885HPGD 84/4885ALDH1A1 755/4885

“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.