SCHEMBL21894786

SCHEMBL21894786

CCN1CCN(c2cccc3[nH]ncc23)CC1C

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 3/20 0.40
LRRK2 Q5S007 3/20 0.39
IDO1 P14902 1/20 0.38
HTR1A P08908 5/20 0.37
HTR1D P28221 5/20 0.37
HTR1B P28222 5/20 0.37
SLC6A4 P31645 5/20 0.37
KCNH2 Q12809 3/20 0.37
NOS1 P29475 1/20 0.36
AXL P30530 1/20 0.36

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
SCHEMBL17738485 0.79 TRPV1 (0.45) TRPV1
SCHEMBL17738540 0.79 ALDH1A1 (0.44) TRPV1LRRK2IDO1NOS1
SCHEMBL30146781 0.77 ROCK2 (0.43) TRPV1LRRK2IDO1NOS1AXL
SCHEMBL10274947 0.72 DRD2 (0.45) HTR1AKCNH2
SCHEMBL15515417 0.72 NOS1 (0.49) TRPV1IDO1NOS1AXL
SCHEMBL28458675 0.71 TRPV1 (0.49) TRPV1IDO1NOS1AXL
SCHEMBL17738996 0.71 TRPV1 (0.40) TRPV1IDO1NOS1AXL
SCHEMBL12842830 0.70 HTR6 (0.58) HTR1AHTR1DHTR1BNOS1AXL
SCHEMBL17739188 0.70 KDM4E (0.55) TRPV1
SCHEMBL17477187 0.69 DRD4 (0.38) LRRK2KCNH2NOS1

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-10590086-B2 Pharmaceutical compound IOMET PHARMA LTD. (GB) 2020-03-17 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-10590086-B2 Pharmaceutical compound IDO1, TDO2, IDO2 TRPV1 3090/4885LRRK2 1105/4885IDO1 1/4885

“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.