SCHEMBL4013884

SCHEMBL4013884

NCC1(c2ccccc2F)CCC1

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 10/20 0.60
SLC6A4 P31645 8/20 0.60
SLC6A2 P23975 4/20 0.53
DPP4 P27487 1/20 0.50
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
TAAR1 Q96RJ0 1/20 0.44
HDAC4 P56524 1/20 0.41
ESR1 P03372 1/20 0.40
HTR2A P28223 1/20 0.40

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
SCHEMBL24018816 0.92 SLC6A3 (0.54) SLC6A3SLC6A4SLC6A2DPP4MAOA
SCHEMBL16292042 0.84 SLC6A3 (0.47) SLC6A3SLC6A4SLC6A2DPP4MAOA
SCHEMBL3324976 0.81 SLC6A4 (0.46) SLC6A3SLC6A4SLC6A2DPP4MAOA
SCHEMBL14893972 0.81 HDAC4 (0.45) SLC6A3SLC6A4SLC6A2HDAC4ESR1
SCHEMBL805452 0.81 ESR1 (0.43) SLC6A3SLC6A4SLC6A2DPP4HDAC4
SCHEMBL17761215 0.78 HDAC4 (0.46) SLC6A3SLC6A4HDAC4ESR1
SCHEMBL3325911 0.77 OPRM1 (0.47) SLC6A3SLC6A4SLC6A2DPP4MAOA
SCHEMBL872817 0.77 SLC6A3 (0.39) SLC6A3SLC6A4SLC6A2DPP4HDAC4
SCHEMBL3516932 0.75 SLC6A3 (1.00) SLC6A3SLC6A4SLC6A2DPP4
SCHEMBL15043623 0.74 ESR1 (0.44) SLC6A3SLC6A4SLC6A2DPP4HDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7595339-B2 CB1 modulator compounds ELI LILLY AND COMPANY (US) 2009-09-29 US disclosed
US-7595339-B2 CB1 modulator compounds ELI LILLY AND COMPANY (US) 2009-09-29 US disclosed
US-7595339-B2 CB1 modulator compounds ELI LILLY AND COMPANY (US) 2009-09-29 US disclosed
US-20080287504-A1 CB1 MODULATOR COMPOUNDS ALLEN JENNIFER REBECCA 2008-11-20 US disclosed
US-20080287504-A1 CB1 MODULATOR COMPOUNDS ALLEN JENNIFER REBECCA 2008-11-20 US disclosed
US-20080287504-A1 CB1 MODULATOR COMPOUNDS ALLEN JENNIFER REBECCA 2008-11-20 US disclosed
US-7276516-B2 CB1 antagonist compounds ELI LILLY AND COMPANY (US) 2007-10-02 US disclosed
US-7276516-B2 CB1 antagonist compounds ELI LILLY AND COMPANY (US) 2007-10-02 US disclosed
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
US-20070088018-A1 Cb1 antagonist compounds ELI LILLY AND COMPANY (US) 2007-04-19 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 (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-20070088018-A1 Cb1 antagonist compounds CNR1, CNR2, CHRNA5 SLC6A3 889/4885SLC6A4 1213/4885SLC6A2 655/4885
US-20080287504-A1 CB1 MODULATOR COMPOUNDS CNR1, CNR2, MAG SLC6A3 955/4885SLC6A4 1176/4885SLC6A2 764/4885

“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.