SCHEMBL892729

SCHEMBL892729

Clc1ccc2[nH]cc(CCN3CCN(Cc4ccccc4)C3)c2c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 5/20 0.59
KCNH2 Q12809 5/20 0.59
OPRM1 P35372 2/20 0.56
OPRK1 P41145 2/20 0.56
OPRL1 P41146 1/20 0.56
HTR1D P28221 3/20 0.53
HTR1B P28222 3/20 0.53
HTR7 P34969 1/20 0.52
HTR1A P08908 2/20 0.50
SLC6A4 P31645 1/20 0.50
MEN1 O00255 1/20 0.50
LMNA P02545 1/20 0.50
TP53 P04637 1/20 0.50
MAPT P10636 1/20 0.50
KMT2A Q03164 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
HTR2A P28223 1/20 0.50
TRPM8 Q7Z2W7 1/20 0.50
CDK4 P11802 1/20 0.49
CCND1 P24385 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
SCHEMBL891841 0.82 HTR1A (0.51) HTR6KCNH2OPRM1OPRK1OPRL1
SCHEMBL892710 0.82 SNCA (0.59) LMNA
SCHEMBL26508389 0.80 MPO (0.67) HTR1DHTR1BHTR1AHTR2ATRPM8
SCHEMBL893138 0.79 HTR1D (0.56) HTR6KCNH2OPRM1OPRK1OPRL1
SCHEMBL11785874 0.78 KCNH2 (0.61) HTR6KCNH2OPRM1OPRK1OPRL1
SCHEMBL892983 0.77 HTR6 (0.58) HTR6KCNH2OPRM1OPRK1OPRL1
SCHEMBL8127891 0.76 OPRM1 (0.64) OPRM1OPRK1OPRL1HTR1ASLC6A4
SCHEMBL6591251 0.75 HTR6 (0.50) HTR6KCNH2OPRM1OPRK1OPRL1
SCHEMBL6589464 0.75 HTR6 (0.49) HTR6KCNH2OPRM1OPRK1OPRL1
SCHEMBL947539 0.74 MPO (0.71) HTR6HTR1DHTR1BHTR1ATDP1

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.