SCHEMBL14399666

SCHEMBL14399666

CCCN(CCC)c1c[nH]c2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.53
HTR1A P08908 2/20 0.49
HTR6 P50406 1/20 0.49
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
ALDH1A1 P00352 4/20 0.47
GPR84 Q9NQS5 3/20 0.47
MAPT P10636 3/20 0.47
KDM4E B2RXH2 2/20 0.47
HSD17B10 Q99714 2/20 0.47
HTR2C P28335 1/20 0.47
HTR2B P41595 1/20 0.47
HPGD P15428 1/20 0.47
FFAR1 O14842 1/20 0.47
TDP1 Q9NUW8 2/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
MITF O75030 1/20 0.47
CYP3A4 P08684 2/20 0.46
CYP2D6 P10635 1/20 0.46

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
SCHEMBL4982358 0.85 MEN1 (0.54) HTR2AHTR1AHTR6MEN1KMT2A
SCHEMBL10993059 0.78 HTR1A (0.46) HTR2AHTR1AHTR6MEN1KMT2A
SCHEMBL6608957 0.78 NPC1 (0.42) HTR2AHTR1AHTR6MEN1KMT2A
SCHEMBL5792372 0.77 NPC1 (0.46) HTR2AHTR1AHTR6MEN1KMT2A
SCHEMBL7343077 0.77 SLC6A2 (0.47) HTR2AHTR1AHTR6MEN1KMT2A
SCHEMBL14921847 0.76 OPRM1 (0.55) HTR2AHTR1AHTR6MEN1KMT2A
SCHEMBL7979555 0.75 MEN1 (0.51) HTR2AHTR1AHTR6MEN1KMT2A
SCHEMBL4212837 0.75 ATM (0.54) HTR2AHTR1AMEN1KMT2AALDH1A1
SCHEMBL30171037 0.75 ATM (0.54) HTR2AHTR1AMEN1KMT2AALDH1A1
SCHEMBL10980705 0.74 ALDH1A1 (0.53) HTR1AHTR6MEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7276516-B2 CB1 antagonist compounds ELI LILLY AND COMPANY (US) 2007-10-02 US disclosed
US-20070088018-A1 Cb1 antagonist compounds ELI LILLY AND COMPANY (US) 2007-04-19 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-20070088018-A1 Cb1 antagonist compounds CNR1, CNR2, CHRNA5 HTR2A 223/4885HTR1A 58/4885HTR6 172/4885

“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.