SCHEMBL4862667

SCHEMBL4862667

CCn1cc(C2CCN(C(=O)c3ccc(Cl)c(Cl)c3)C2)c2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.47
HTR6 P50406 2/20 0.46
ALDH1A1 P00352 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
UBE2M P61081 1/20 0.45
DCUN1D1 Q96GG9 1/20 0.45
HPGD P15428 1/20 0.44
KMT2A Q03164 1/20 0.43
TPSAB1 Q15661 1/20 0.42
HRH2 P25021 2/20 0.42
CNR2 P34972 2/20 0.41
PROKR1 Q8TCW9 1/20 0.41
HSD11B1 P28845 1/20 0.41
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
NCOR2 Q9Y618 1/20 0.41

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
SCHEMBL4853030 0.86 HDAC3 (0.46) HTR6ALDH1A1SMN1; SMN2UBE2MDCUN1D1
SCHEMBL5203757 0.85 NPC1 (0.57) HTR6ALDH1A1SMN1; SMN2KMT2ATPSAB1
SCHEMBL5204533 0.83 ALDH1A1 (0.46) TSHRALDH1A1SMN1; SMN2HPGDKMT2A
SCHEMBL5202168 0.83 PROKR1 (0.47) ALDH1A1SMN1; SMN2KMT2ATPSAB1HRH2
SCHEMBL5204500 0.82 TPSAB1 (0.47) HTR6ALDH1A1SMN1; SMN2KMT2ATPSAB1
SCHEMBL5203268 0.80 GAA (0.48) ALDH1A1SMN1; SMN2KMT2AHSD11B1
SCHEMBL5202510 0.80 HSD11B1 (0.55) ALDH1A1SMN1; SMN2KMT2ATPSAB1HRH2
SCHEMBL4851037 0.79 ALDH1A1 (0.39) TSHRALDH1A1SMN1; SMN2HPGDKMT2A
SCHEMBL4860093 0.78 ALDH1A1 (0.45) HTR6ALDH1A1SMN1; SMN2KMT2ATPSAB1
SCHEMBL5206419 0.78 SMN1; SMN2 (0.49) ALDH1A1SMN1; SMN2UBE2MDCUN1D1KMT2A

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-7368470-B2 Substituted 3-pyrrolidine-indole derivatives GRUENENTHAL GMBH (DE) 2008-05-06 US claimed
EP-1654253-B1 SUBSTITUTED 3-PYRROLIDIN-INDOLE DERIVATIVES GRUENENTHAL GMBH (DE) 2007-01-03 EP claimed
US-20050096376-A1 Substituted 3-pyrrolidine-indole derivatives GRUENENTHAL GMBH (DE) 2005-05-05 US 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 TSHR 3318/4885HTR6 14/4885ALDH1A1 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.