SCHEMBL3979424

SCHEMBL3979424

O=C(O)N1CCC(CNc2ccc(Br)cn2)CC1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 8/20 0.47
ALDH1A1 P00352 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
CYP3A4 P08684 2/20 0.45
CYP2D6 P10635 2/20 0.45
CYP2C9 P11712 2/20 0.45
TSHR P16473 4/20 0.44
POLB P06746 2/20 0.44
KDM4E B2RXH2 1/20 0.43
HSD17B10 Q99714 1/20 0.43
USP30 Q70CQ3 1/20 0.41
PIM1 P11309 1/20 0.41
HCRTR1 O43613 1/20 0.40
HCRTR2 O43614 1/20 0.40
OPRK1 P41145 1/20 0.40

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
SCHEMBL4052814 0.83 GRIN2B (0.46) GRIN2BCYP3A4CYP2D6CYP2C9TSHR
SCHEMBL3986190 0.83 KDM4E (0.53) GRIN2BALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL17141620 0.82 NPC1 (0.48) ALDH1A1SMN1; SMN2NPC1RAB9ATSHR
SCHEMBL21920809 0.78 NPC1 (0.46) ALDH1A1SMN1; SMN2NPC1RAB9ATSHR
SCHEMBL10208455 0.78 NPC1 (0.55) ALDH1A1SMN1; SMN2NPC1RAB9ATSHR
SCHEMBL3978507 0.77 USP30 (0.47) GRIN2BCYP3A4CYP2D6CYP2C9TSHR
SCHEMBL4890016 0.76 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2NPC1RAB9ATSHR
SCHEMBL28508298 0.76 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2NPC1RAB9ATSHR
SCHEMBL3988752 0.75 LIPE (0.44) POLBKDM4EHCRTR1HCRTR2
SCHEMBL23609608 0.74 PIM1 (0.42) ALDH1A1SMN1; SMN2NPC1RAB9ATSHR

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
EP-2059516-A1 PYRIDINE COMPOUNDS FOR TREATING GPR119 RELATED DISORDERS BIOVITRUM AB (publ) (SE) 2009-05-20 EP disclosed
US-20080103123-A1 New compounds BIOVITRUM (SE) 2008-05-01 US disclosed
WO-2008025798-A1 PYRIDINE COMPOUNDS FOR TREATING GPR119 RELATED DISORDERS BIOVITRUM AB (PUBL) (SE) 2008-03-06 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-20080103123-A1 New compounds GPR119, GPR139, GPR180 GRIN2B 483/4885ALDH1A1 1431/4885SMN1; SMN2 3079/4885

“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.