SCHEMBL892983

SCHEMBL892983

Clc1ccc2[nH]cc(CCN3CCC(c4ccccc4)C3)c2c1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 4/20 0.58
KCNH2 Q12809 4/20 0.58
OPRM1 P35372 1/20 0.56
OPRK1 P41145 1/20 0.56
OPRL1 P41146 1/20 0.56
HTR1A P08908 1/20 0.53
DRD4 P21917 2/20 0.53
DRD2 P14416 1/20 0.53
DRD3 P35462 1/20 0.53
HTR1D P28221 4/20 0.49
HTR1B P28222 4/20 0.49
SLC6A4 P31645 1/20 0.49

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
SCHEMBL11785874 0.94 KCNH2 (0.61) HTR6KCNH2OPRM1OPRK1OPRL1
SCHEMBL11237394 0.87 KCNH2 (0.59) HTR6KCNH2OPRM1OPRK1OPRL1
SCHEMBL7288031 0.86 HTR1A (0.54) HTR6KCNH2HTR1ADRD4DRD2
SCHEMBL893138 0.84 HTR1D (0.56) HTR6KCNH2OPRM1OPRK1OPRL1
SCHEMBL892617 0.81 MTNR1A (0.54)
SCHEMBL11333398 0.80 DRD2 (0.76) HTR1ADRD4DRD2DRD3
SCHEMBL26508389 0.78 MPO (0.67) HTR1AHTR1DHTR1B
SCHEMBL892729 0.77 HTR6 (0.59) HTR6KCNH2OPRM1OPRK1OPRL1
SCHEMBL11343383 0.77 AVPR1A (0.56) HTR6KCNH2OPRM1OPRK1OPRL1
SCHEMBL14359656 0.76 HTR1D (0.60) HTR6KCNH2HTR1ADRD2HTR1D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190054068-A1 Indole Amide Derivatives and Related Compounds for Use in the Treatment of Neurodegenerative Diseases REMYND (BE) 2019-02-21 US disclosed
US-8618138-B2 Indole amide derivatives and related compounds for use in the treatment of neurodegenerative diseases KATHOLIEKE UNIVERSITEIT LEUVEN, K.U. LEUVEN R&D (BE) 2013-12-31 US disclosed
US-20120083475-A1 INDOLE AMIDE DERIVATIVES AND RELATED COMPOUNDS FOR USE IN THE TREATMENT OF NEURODEGENERATIVE DISEASES KATHOLIEKE UNIVERSITEIT LEUVEN, K.U. LEUVEN R&D (BE) 2012-04-05 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 (2 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-20120083475-A1 INDOLE AMIDE DERIVATIVES AND RELATED COMPOUNDS FOR USE IN THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, MAPT, NLN HTR6 104/4885KCNH2 3699/4885OPRM1 645/4885
US-20190054068-A1 Indole Amide Derivatives and Related Compounds for Use in the Treatment of Neurodegenerative Diseases SNCA, MAPT, NLN HTR6 104/4885KCNH2 3699/4885OPRM1 645/4885

“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.