SCHEMBL4037944

SCHEMBL4037944

O=c1[nH]c2ccccc2n1CCCN1CCOCC1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.74
HTR7 P34969 7/20 0.73
P2RX7 Q99572 7/20 0.65
MEN1 O00255 1/20 0.65
MLNR O43193 1/20 0.65
NR1I2 O75469 1/20 0.65
CYP1A2 P05177 1/20 0.65
CHRM2 P08172 1/20 0.65
CYP3A4 P08684 1/20 0.65
ADORA3 P0DMS8 1/20 0.65
CYP2D6 P10635 1/20 0.65
CHRM1 P11229 1/20 0.65
CYP2C9 P11712 1/20 0.65
DRD2 P14416 1/20 0.65
PKM P14618 1/20 0.65
ADRA2C P18825 1/20 0.65
CHRM3 P20309 1/20 0.65
SLC6A2 P23975 1/20 0.65
HTR2A P28223 1/20 0.65
HTR2C P28335 1/20 0.65

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
SCHEMBL739228 0.93 HTR7 (0.73) LMNAHTR7P2RX7MEN1MLNR
Hydrochloric Acid SCHEMBL9725420 0.92 HTR7 (0.71) LMNAHTR7P2RX7MEN1MLNR
SCHEMBL11119055 0.86 LMNA (0.97) LMNAHTR7P2RX7MEN1MLNR
SCHEMBL29971224 0.85 LMNA (0.76) LMNAHTR7P2RX7MEN1MLNR
SCHEMBL7807008 0.85 LMNA (0.76) LMNAHTR7P2RX7MEN1MLNR
SCHEMBL11040118 0.85 LMNA (0.76) LMNAHTR7P2RX7MEN1MLNR
SCHEMBL30947438 0.84 LMNA (0.78) LMNAHTR7P2RX7MEN1MLNR
SCHEMBL11200811 0.83 HTR7 (0.75) LMNAHTR7P2RX7MEN1MLNR
SCHEMBL8350272 0.82 KDM4E (0.52) LMNAHTR7P2RX7MEN1MLNR
SCHEMBL3036872 0.82 LMNA (0.67) LMNAHTR7P2RX7MEN1MLNR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090149445-A1 TRICYCLIC STEROID HORMONE NUCLEAR RECEPTOR MODULATORS COGHLAN MICHAEL JOSEPH 2009-06-11 US disclosed
EP-1519915-B1 TRICYCLIC STEROID HORMONE NUCLEAR RECEPTOR MODULATORS LILLY CO ELI (US) 2009-05-27 EP disclosed
US-7411072-B2 Tricyclic steroid hormone nuclear receptor modulators ELI LILLY AND COMPANY (US) 2008-08-12 US disclosed
US-20060063759-A1 Tricyclic steroid hormone nuclear receptor modulators ELI LILLY AND COMPANY 2006-03-23 US disclosed
EP-1519915-A2 TRICYCLIC STEROID HORMONE NUCLEAR RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2005-04-06 EP disclosed
WO-2004052847-A2 TRICYCLIC STEROID HORMONE NUCLEAR RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2004-06-24 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 (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-20090149445-A1 TRICYCLIC STEROID HORMONE NUCLEAR RECEPTOR MODULATORS NR5A1, NR3C2, NR3C1 LMNA 2774/4885HTR7 547/4885P2RX7 1830/4885
US-20060063759-A1 Tricyclic steroid hormone nuclear receptor modulators NR5A1, NR3C2, NR3C1 LMNA 2846/4885HTR7 502/4885P2RX7 1613/4885

“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.