SCHEMBL4858356

SCHEMBL4858356

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

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CREBBP Q92793 4/20 0.42
HSD11B1 P28845 1/20 0.40
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
NCOR2 Q9Y618 1/20 0.39
ALDH1A1 P00352 2/20 0.38
HRH2 P25021 5/20 0.38
CNR1 P21554 1/20 0.37
POLB P06746 1/20 0.37
GAA P10253 1/20 0.37

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
SCHEMBL5201910 0.80 NPC1 (0.42) HDAC3HDAC1HDAC2HDAC10HDAC8
SCHEMBL5203370 0.80 HRH2 (0.47) HDAC3HDAC1HDAC2HDAC10HDAC8
SCHEMBL4860169 0.77 MAPT (0.40) HDAC3HDAC1HDAC2HDAC10HDAC8
SCHEMBL5203731 0.75 PDE2A (0.41) HSD11B1ALDH1A1CNR1
SCHEMBL5204952 0.74 HRH2 (0.55) ALDH1A1HRH2CNR1
SCHEMBL5202530 0.73 ALDH1A1 (0.42) CREBBPALDH1A1CNR1GAA
SCHEMBL4852959 0.73 SMN1; SMN2 (0.53) CREBBPALDH1A1HRH2POLB
SCHEMBL5202510 0.69 HSD11B1 (0.55) HSD11B1ALDH1A1HRH2CNR1
SCHEMBL5204533 0.69 ALDH1A1 (0.46) HSD11B1HDAC3HDAC1HDAC2HDAC10
SCHEMBL5203151 0.69 ALDH1A1 (0.50) CREBBPALDH1A1HRH2

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 CREBBP 325/4885HSD11B1 1144/4885HDAC3 171/4885

“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.