SCHEMBL2961574

SCHEMBL2961574

CC1(CO)CN(Cc2ccccc2)CCN1Cc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.50
MC4R P32245 1/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
TSHR P16473 1/20 0.47
GAA P10253 1/20 0.46
POLB P06746 2/20 0.46
LMNA P02545 2/20 0.46
ALDH1A1 P00352 1/20 0.43
DRD4 P21917 1/20 0.42
CYP2D6 P10635 1/20 0.42
OPRL1 P41146 1/20 0.42
PHGDH O43175 1/20 0.42
MGLL Q99685 1/20 0.42
ACHE P22303 1/20 0.41

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
SCHEMBL28127159 0.89 SIGMAR1 (0.41) SIGMAR1MC4RMEN1KMT2ATSHR
SCHEMBL7570843 0.84 SIGMAR1 (0.53) SIGMAR1MC4RMEN1KMT2ATSHR
SCHEMBL5190470 0.84 GAA (0.47) SIGMAR1MC4RMEN1KMT2ATSHR
SCHEMBL17459862 0.81 KMT2A (0.43) MEN1KMT2ATSHRGAALMNA
SCHEMBL25000121 0.78 CYP2D6 (0.43) SIGMAR1MEN1KMT2ATSHRGAA
SCHEMBL31105377 0.78 CYP2D6 (0.43) SIGMAR1MEN1KMT2ATSHRGAA
SCHEMBL27314788 0.78 SIGMAR1 (0.53) SIGMAR1MC4RMEN1KMT2ATSHR
SCHEMBL29528022 0.75 SIGMAR1 (0.53) SIGMAR1MC4RMEN1KMT2AGAA
SCHEMBL16684766 0.75 OPRL1 (0.51) SIGMAR1MEN1KMT2ATSHRGAA
SCHEMBL6133227 0.75 ALDH1A1 (0.39) SIGMAR1MC4RMEN1KMT2ATSHR

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 168/4885MC4R 237/4885MEN1 3332/4885

“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.