SCHEMBL19160656

SCHEMBL19160656

Cc1ccc(CCNc2ccnc3ccc(Cl)cc23)cc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNC P24863 6/20 0.77
CDK8 P49336 6/20 0.77
HTR1A P08908 3/20 0.62
ADRA1D P25100 3/20 0.62
ADRA1A P35348 3/20 0.62
ADRA1B P35368 3/20 0.62
CYP1A2 P05177 1/20 0.55
HTT P42858 3/20 0.54
CCR1 P32246 1/20 0.52
KDM4E B2RXH2 1/20 0.51
MEN1 O00255 1/20 0.51
ALDH1A1 P00352 1/20 0.51
LMNA P02545 1/20 0.51
GLA P06280 1/20 0.51
POLB P06746 1/20 0.51
GAA P10253 1/20 0.51
MAPT P10636 1/20 0.51
RAB9A P51151 1/20 0.51
KMT2A Q03164 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51

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
SCHEMBL7507732 0.92 HTR1A (0.70) CCNCCDK8HTR1AADRA1DADRA1A
SCHEMBL7510312 0.90 CYP1A2 (0.70) CCNCCDK8HTR1AADRA1DADRA1A
SCHEMBL7500219 0.89 HTR1A (0.78) CCNCCDK8HTR1AADRA1DADRA1A
SCHEMBL21750458 0.87 CCNC (1.00) CCNCCDK8HTR1AADRA1DADRA1A
SCHEMBL7510153 0.83 CCNC (0.70) CCNCCDK8HTR1AADRA1DADRA1A
SCHEMBL7507392 0.82 CCNC (0.69) CCNCCDK8HTR1AADRA1DADRA1A
SCHEMBL27325782 0.82 HTR1A (0.70) CCNCCDK8HTR1AADRA1DADRA1A
SCHEMBL7502818 0.82 HTR1A (0.74) CCNCCDK8HTR1AADRA1DADRA1A
SCHEMBL7505625 0.81 HTR1A (0.69) CCNCCDK8HTR1AADRA1DADRA1A
SCHEMBL7511001 0.81 HTR1A (0.65) CCNCCDK8HTR1AADRA1DADRA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170210759-A1 ACTIVATORS OF AUTOPHAGIC FLUX AND PHOSPHOLIPASE D AND CLEARANCE OF PROTEIN AGGREGATES INCLUDING TAU AND TREATMENT OF PROTEINOPATHIES THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK 2017-07-27 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-20170210759-A1 ACTIVATORS OF AUTOPHAGIC FLUX AND PHOSPHOLIPASE D AND CLEARANCE OF PROTEIN AGGREGATES INCLUDING TAU AND TREATMENT OF PROTEINOPATHIES MAPT, SQSTM1, ATG7 CCNC 3680/4885CDK8 1866/4885HTR1A 1431/4885

“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.