SCHEMBL6340547

SCHEMBL6340547

O=C(O)c1c(C[N+]2(C3CCNCC3)CCCCC2)c(-c2ccccc2)nc2cc(O)ccc12

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TACR3 P29371 5/20 0.40
TACR2 P21452 3/20 0.40
OPRM1 P35372 2/20 0.40
DHODH Q02127 8/20 0.38
PDE10A Q9Y233 2/20 0.38
KCNH2 Q12809 1/20 0.37
ESR1 P03372 1/20 0.37
ESR2 Q92731 1/20 0.37
LMNA P02545 2/20 0.35
POLB P06746 1/20 0.35
TSHR P16473 1/20 0.35
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33

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
SCHEMBL6951612 0.91 TACR3 (0.47) TACR3TACR2OPRM1DHODHPDE10A
SCHEMBL7159967 0.90 DHODH (0.46) TACR3TACR2OPRM1DHODHLMNA
SCHEMBL7076610 0.90 DHODH (0.48) TACR3TACR2OPRM1DHODHPDE10A
Hydrochloric Acid SCHEMBL7077944 0.90 TACR3 (0.47) TACR3TACR2OPRM1DHODHPDE10A
SCHEMBL7165599 0.89 TACR3 (0.43) TACR3TACR2OPRM1DHODHKCNH2
SCHEMBL7076609 0.88 DHODH (0.43) TACR3TACR2OPRM1DHODHKCNH2
SCHEMBL6956361 0.87 TACR3 (0.38) TACR3TACR2OPRM1DHODHPDE10A
SCHEMBL6582324 0.84 DHODH (0.42) TACR3TACR2OPRM1DHODHPDE10A
SCHEMBL7166157 0.83 DHODH (0.50) TACR3TACR2OPRM1DHODH
SCHEMBL6586109 0.82 TRPV4 (0.43) TACR3TACR2OPRM1DHODHPDE10A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050070574-A1 Novel compounds GLAXOSMITHKLINE SPA AND LABORATOIRE 2005-03-31 US disclosed
EP-1339691-A1 NOVEL COMPOUNDS GlaxoSmithKline S.p.A. (IT) 2003-09-03 EP disclosed
WO-2002044154-A1 NOVEL COMPOUNDS GLAXOSMITHKLINE SPA (IT) 2002-06-06 WO 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-20050070574-A1 Novel compounds NR1H3, NR1H2, CNR1 TACR3 301/4885TACR2 52/4885OPRM1 40/4885

“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.