SCHEMBL1413397

SCHEMBL1413397

CN1CCN(c2c[nH]c3ccccc23)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 4/20 0.56
LMNA P02545 2/20 0.50
HTR1A P08908 2/20 0.50
KDM4E B2RXH2 2/20 0.50
POLB P06746 1/20 0.50
ALOX15 P16050 1/20 0.50
SLC6A4 P31645 1/20 0.50
HSD17B10 Q99714 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
GAA P10253 1/20 0.49
HTT P42858 1/20 0.49
DRD2 P14416 2/20 0.48
HTR2A P28223 1/20 0.48
HTR7 P34969 1/20 0.48
ATM Q13315 1/20 0.48
ADRA2C P18825 1/20 0.47
HRH4 Q9H3N8 1/20 0.47
PRKCB P05771 5/20 0.46
PRKCA P17252 5/20 0.46
PRKCH P24723 5/20 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
SCHEMBL6407264 0.91 LMNA (0.51) HTR6LMNAHTR1AKDM4EPOLB
SCHEMBL2782013 0.84 LMNA (0.51) HTR6LMNAHTR1AKDM4EPOLB
SCHEMBL8810703 0.83 LMNA (0.53) HTR6LMNAHTR1AGAAHTT
SCHEMBL1413377 0.82 HTT (0.54) HTR6LMNAKDM4EPOLBL3MBTL1
SCHEMBL1442314 0.81 HTR6 (0.63) HTR6LMNAHTR1AKDM4EHSD17B10
Hydrochloric Acid SCHEMBL11852231 0.81 JAK2 (0.55) HTR6LMNAHTR1AKDM4EPOLB
SCHEMBL18324731 0.80 TDO2 (0.55) LMNAKDM4EPOLBALOX15HSD17B10
SCHEMBL16801594 0.80 PIM1 (0.44) HTR6LMNAHTR1AKDM4EPOLB
SCHEMBL16801754 0.80 ALDH1A1 (0.59) HTR6LMNAKDM4EPOLBGAA
SCHEMBL11786956 0.79 LMNA (0.57) LMNAHTR1AKDM4EGAAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1699761-B1 CB1 MODULATOR COMPOUNDS LILLY CO ELI (US) 2011-03-16 EP disclosed
EP-1699761-B1 CB1 MODULATOR COMPOUNDS LILLY CO ELI (US) 2011-03-16 EP 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-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 HTR6 172/4885LMNA 1948/4885HTR1A 58/4885
US-20080287504-A1 CB1 MODULATOR COMPOUNDS CNR1, CNR2, MAG HTR6 142/4885LMNA 2183/4885HTR1A 53/4885

“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.