SCHEMBL6296271

SCHEMBL6296271

CN(CCCN)Cc1ccc2c(c1)OCO2

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.55
SLC6A4 P31645 3/20 0.48
SLC6A2 P23975 2/20 0.48
SLC6A3 Q01959 2/20 0.48
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
HRH2 P25021 1/20 0.46
KCNH2 Q12809 2/20 0.44
TSHR P16473 1/20 0.43
GAA P10253 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
MAPT P10636 1/20 0.43
HSP90AA1 P07900 1/20 0.43
CYP2D6 P10635 1/20 0.42

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
SCHEMBL13037128 0.91 TAAR1 (0.58) TAAR1SLC6A4SLC6A2SLC6A3MEN1
SCHEMBL2601968 0.88 HRH2 (0.52) TAAR1SLC6A4SLC6A2SLC6A3MEN1
SCHEMBL8828180 0.87 TAAR1 (0.62) TAAR1SLC6A4SLC6A2SLC6A3
SCHEMBL16312618 0.84 HRH2 (0.55) TAAR1SLC6A4SLC6A2SLC6A3HRH2
SCHEMBL3556419 0.82 CYP3A4 (0.50) TAAR1SLC6A4SLC6A2SLC6A3MEN1
SCHEMBL13037131 0.82 HRH2 (0.48) TAAR1SLC6A4SLC6A2SLC6A3MEN1
Hydrochloric Acid SCHEMBL3562575 0.81 MEN1 (0.47) TAAR1SLC6A4SLC6A2SLC6A3MEN1
SCHEMBL19500871 0.79 LTA4H (0.52) TAAR1SLC6A4SLC6A2SLC6A3MEN1
SCHEMBL3149388 0.79 TAAR1 (0.54) TAAR1SLC6A4SLC6A2SLC6A3HRH2
SCHEMBL8828505 0.78 TAAR1 (0.50) TAAR1MEN1KMT2AKCNH2CYP1A2

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6887865-B2 N-heterocyclic derivatives as NOS inhibitors BERLEX LABORATORIES, INC. (US) 2005-05-03 US disclosed
US-6864368-B2 N-heterocyclic derivatives as NOS inhibitors BERLAX LABORATORIES, INC. (US) 2005-03-08 US disclosed
US-6864263-B2 N-heterocyclic derivatives as NOS inhibitors BERLEX LABORATORIES, INC. (US) 2005-03-08 US disclosed
US-6849739-B2 N-heterocyclic derivatives as NOS inhibitors BERLEX LABORATORIES, INC. (US) 2005-02-01 US disclosed
US-6846829-B2 N-heterocyclic derivatives as NOS inhibitors BERLEX LABORATORIES, INC. (US) 2005-01-25 US disclosed
US-6841674-B2 N-heterocyclic derivatives as NOS inhibitors BERLEX LABORATORIES, INC. (US) 2005-01-11 US disclosed
US-6841673-B2 N-heterocyclic derivatives as nos inhibitors BERLEX LABORATORIES, INC. (US) 2005-01-11 US disclosed
US-6747031-B2 MUSCLE RELAXANTS, CONTROLLING IMMUNOLOGY, STROKES, ANTIDIABETIC AGENTS BERLEX LABORATORIES, INC. 2004-06-08 US disclosed
US-6670473-B2 Inhibitors of nitric oxide synthase (nos) BERLEX LABORATORIES, INC. 2003-12-30 US disclosed
EP-1206467-B1 N-HETEROCYCLIC DERIVATIVES AS NOS INHIBITORS BERLEX LAB (US) 2003-12-17 EP disclosed
US-20030083332-A1 N-heterocyclic derivatives as NOS inhibitors BERLEX LABORATORIES, INC. (US) 2003-05-01 US disclosed
US-20030078265-A1 N-heterocyclic derivatives as NOS inhibitors BERLEX LABORATORIES, INC. (US) 2003-04-24 US disclosed
US-20030073669-A1 N-heterocyclic derivatives as NOS inhibitors BERLEX LABORATORIES, INC. (US) 2003-04-17 US disclosed
US-20030069210-A1 N-heterocyclic derivatives as NOS inhibitors BERLEX LABORATORIES, INC. (US) 2003-04-10 US disclosed
US-20030060452-A1 N-heterocyclic derivatives as NOS inhibitors BERLEX LABORATORIES, INC. (US) 2003-03-27 US disclosed
US-20030027794-A1 N-heterocyclic derivatives as NOS inhibitors BERLEX LABORATORIES, INC. (US) 2003-02-06 US disclosed
US-20030004137-A1 N-heterocyclic derivatives as NOS inhibitors BERLEX LABORATORIES, INC. (US) 2003-01-02 US disclosed
US-20020183323-A1 N-heterocyclic derivatives as NOS inhibitors BERLEX LABORATORIES, INC. 2002-12-05 US disclosed
US-20020165203-A1 N-heterocyclic derivatives as NOS inhibitors BERLEX LABORATORIES, INC. 2002-11-07 US disclosed
US-6432947-B1 NERVOUS SYSTEM DISORDERS; MUSCLE RELAXANTS; ANTIDIABETIC AGENTS BERLEX LABORATORIES, INC. 2002-08-13 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 (9 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-20030073669-A1 N-heterocyclic derivatives as NOS inhibitors NOS1, NOS2, NOS3 TAAR1 1040/4885SLC6A4 1509/4885SLC6A2 1202/4885
US-20030060452-A1 N-heterocyclic derivatives as NOS inhibitors NOS1, NOS2, NOS3 TAAR1 1040/4885SLC6A4 1509/4885SLC6A2 1202/4885
US-20030004137-A1 N-heterocyclic derivatives as NOS inhibitors NOS1, NOS2, NOS3 TAAR1 1040/4885SLC6A4 1509/4885SLC6A2 1202/4885
US-20030078265-A1 N-heterocyclic derivatives as NOS inhibitors NOS1, NOS2, NOS3 TAAR1 1040/4885SLC6A4 1509/4885SLC6A2 1202/4885
US-20020165203-A1 N-heterocyclic derivatives as NOS inhibitors NOS1, NOS2, NOS3 TAAR1 1040/4885SLC6A4 1509/4885SLC6A2 1202/4885
US-20030069210-A1 N-heterocyclic derivatives as NOS inhibitors NOS1, NOS2, NOS3 TAAR1 1040/4885SLC6A4 1509/4885SLC6A2 1202/4885
US-20030083332-A1 N-heterocyclic derivatives as NOS inhibitors NOS1, NOS2, NOS3 TAAR1 1040/4885SLC6A4 1509/4885SLC6A2 1202/4885
US-20030027794-A1 N-heterocyclic derivatives as NOS inhibitors NOS1, NOS2, NOS3 TAAR1 1040/4885SLC6A4 1509/4885SLC6A2 1202/4885
US-20020183323-A1 N-heterocyclic derivatives as NOS inhibitors NOS1, NOS2, NOS3 TAAR1 1040/4885SLC6A4 1509/4885SLC6A2 1202/4885

“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.