SCHEMBL2974293

SCHEMBL2974293

OC[C@@H]1CN(Cc2ccccc2)CCN1Cc1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 6/20 0.78
LMNA P02545 2/20 0.62
POLB P06746 2/20 0.59
ALDH1A1 P00352 1/20 0.58
MEN1 O00255 1/20 0.58
KMT2A Q03164 1/20 0.58
GAA P10253 1/20 0.56

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
SCHEMBL20719 1.00 SIGMAR1 (0.78) SIGMAR1LMNAPOLBALDH1A1MEN1
SCHEMBL65364 1.00 SIGMAR1 (0.78) SIGMAR1LMNAPOLBALDH1A1MEN1
Hydrochloric Acid SCHEMBL21315849 0.98 SIGMAR1 (0.76) SIGMAR1LMNAPOLBALDH1A1MEN1
Hydrochloric Acid SCHEMBL21315850 0.98 SIGMAR1 (0.76) SIGMAR1LMNAPOLBALDH1A1MEN1
SCHEMBL5639480 0.92 SIGMAR1 (0.67) SIGMAR1ALDH1A1
SCHEMBL3494735 0.88 SIGMAR1 (0.80) SIGMAR1LMNAPOLBALDH1A1MEN1
SCHEMBL4836976 0.88 SIGMAR1 (0.80) SIGMAR1LMNAPOLBALDH1A1MEN1
SCHEMBL2419294 0.86 SIGMAR1 (0.60) SIGMAR1LMNA
SCHEMBL5710391 0.86 SIGMAR1 (0.60) SIGMAR1LMNAPOLBGAA
SCHEMBL21315846 0.85 SIGMAR1 (0.59) SIGMAR1LMNAPOLBALDH1A1MEN1

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-7776859-B2 Hexahydroimidazopyrazin-3-one compounds useful as modulators of androgen receptor function BRISTOL-MYERS SQUIBB COMPANY (US) 2010-08-17 US disclosed
US-7776859-B2 Hexahydroimidazopyrazin-3-one compounds useful as modulators of androgen receptor function BRISTOL-MYERS SQUIBB COMPANY (US) 2010-08-17 US disclosed
US-7776859-B2 Hexahydroimidazopyrazin-3-one compounds useful as modulators of androgen receptor function BRISTOL-MYERS SQUIBB COMPANY (US) 2010-08-17 US disclosed
US-20070088039-A1 Hexahydroimidazopyrazin-3-one compounds useful as modulators of androgen receptor function BRISTOL-MYERS SQUIBB COMPANY 2007-04-19 US disclosed
US-20070088039-A1 Hexahydroimidazopyrazin-3-one compounds useful as modulators of androgen receptor function BRISTOL-MYERS SQUIBB COMPANY 2007-04-19 US disclosed
US-20070088039-A1 Hexahydroimidazopyrazin-3-one compounds useful as modulators of androgen receptor function BRISTOL-MYERS SQUIBB COMPANY 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 (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-20070088039-A1 Hexahydroimidazopyrazin-3-one compounds useful as modulators of androgen receptor function AR, FSHR, NR5A1 SIGMAR1 168/4885LMNA 4059/4885POLB 4212/4885

“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.