SCHEMBL19650680

SCHEMBL19650680

CCn1cc(CCN(C)C)c2ccccc21

nearest known ligand 0.71

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 17/20 0.71
HTR2A P28223 1/20 0.61
HTR2C P28335 1/20 0.61
HDAC1 Q13547 1/20 0.55
HDAC10 Q969S8 1/20 0.55
HDAC8 Q9BY41 1/20 0.55
HDAC6 Q9UBN7 1/20 0.55
HTR7 P34969 2/20 0.55
HTR1A P08908 1/20 0.55
DRD2 P14416 1/20 0.55
HTR1D P28221 1/20 0.55
HTR1B P28222 1/20 0.55
HTR1F P30939 1/20 0.55
DRD3 P35462 1/20 0.55

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
SCHEMBL20307301 0.89 HTR6 (0.81) HTR6HTR2AHTR2CHDAC1HDAC10
SCHEMBL12558496 0.88 HTR6 (0.74) HTR6
SCHEMBL24877710 0.86 HTR6 (0.69) HTR6HDAC1HDAC10HDAC8HDAC6
SCHEMBL31544897 0.85 HTR6 (0.71) HTR6HTR2AHTR2C
SCHEMBL17943731 0.84 HTR6 (0.69) HTR6HTR2AHTR2C
SCHEMBL30808104 0.83 HTR6 (0.66) HTR6HDAC1HDAC10HDAC8HDAC6
SCHEMBL24877423 0.83 HTR6 (0.66) HTR6HDAC1HDAC10HDAC8HDAC6
SCHEMBL12558479 0.83 PADI4 (0.55) HTR6HTR2A
Ammonia Solution, Strong SCHEMBL15466974 0.81 PADI4 (0.53) HTR6HTR2A
SCHEMBL4535061 0.80 HTR2A (0.65) HTR6HTR2A

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-20170342054-A1 COMPOUNDS AND METHODS OF USE THEREOF ELDER AMY (US) 2017-11-30 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-20170342054-A1 COMPOUNDS AND METHODS OF USE THEREOF AANAT, HNMT, INMT HTR6 12/4885HTR2A 34/4885HTR2C 27/4885

“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.