SCHEMBL1413422

SCHEMBL1413422

COC1CCCCC1c1c[nH]c2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 5/20 0.53
HTR2A P28223 3/20 0.53
HTR2B P41595 3/20 0.53
ADRB2 P07550 1/20 0.51
SLC6A4 P31645 1/20 0.48
KDM4E B2RXH2 2/20 0.46
ATM Q13315 1/20 0.46
ALDH1A1 P00352 4/20 0.43
BRD4 O60885 1/20 0.43
POLB P06746 1/20 0.43
CREBBP Q92793 1/20 0.43
MAPT P10636 2/20 0.43
GAA P10253 1/20 0.43
PDE1C Q14123 1/20 0.42
GLA P06280 1/20 0.41
MAPK1 P28482 1/20 0.41
ADRA1D P25100 1/20 0.41
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
IDO1 P14902 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
SCHEMBL19889366 0.77 HTR2C (0.57) HTR2CHTR2AHTR2BADRB2SLC6A4
SCHEMBL28657591 0.77 HTR2C (0.71) HTR2CHTR2AHTR2BADRB2SLC6A4
SCHEMBL1305048 0.77 HTR2C (0.57) HTR2CHTR2AHTR2BADRB2SLC6A4
SCHEMBL807343 0.74 HTR2C (0.74) HTR2CHTR2AHTR2BADRB2KDM4E
SCHEMBL3239993 0.74 HTR2C (0.57) HTR2CHTR2AHTR2BADRB2SLC6A4
SCHEMBL14168904 0.73 HTR2C (0.49) HTR2CHTR2AHTR2BADRB2SLC6A4
SCHEMBL29287872 0.73 HTR2C (0.75) HTR2CHTR2AHTR2BADRB2SLC6A4
SCHEMBL2910862 0.73 HTR2C (0.72) HTR2CHTR2AHTR2BADRB2KDM4E
SCHEMBL14168805 0.71 HTR2C (0.50) HTR2CHTR2AHTR2BADRB2SLC6A4
SCHEMBL28594057 0.71 HTR2C (0.74) HTR2CHTR2AHTR2BADRB2KDM4E

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 HTR2C 271/4885HTR2A 223/4885HTR2B 125/4885
US-20080287504-A1 CB1 MODULATOR COMPOUNDS CNR1, CNR2, MAG HTR2C 299/4885HTR2A 251/4885HTR2B 151/4885

“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.