SCHEMBL3058629

SCHEMBL3058629

O=C(OCc1ccccc1)N1C=C2NCC[C@@H]2C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.46
NPC1 O15118 4/20 0.46
RAB9A P51151 4/20 0.46
HTR2C P28335 1/20 0.45
CYP2C19 P33261 1/20 0.44
GLA P06280 1/20 0.43
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
GRIN2B Q13224 3/20 0.41
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CHRM2 P08172 1/20 0.40
CHRM5 P08912 1/20 0.40
CHRM1 P11229 1/20 0.40
CHRM3 P20309 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
GAA P10253 1/20 0.39
MAPK1 P28482 1/20 0.39
P2RX4 Q99571 1/20 0.39

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
SCHEMBL6819973 0.72 SMN1; SMN2 (0.48) SMN1; SMN2NPC1RAB9AHTR2CCYP2C19
SCHEMBL8562576 0.71 KMT2A (0.48) SMN1; SMN2NPC1RAB9AHTR2CCYP2C19
SCHEMBL14778992 0.70 HTR2C (0.51) SMN1; SMN2NPC1RAB9AHTR2CCYP2C19
SCHEMBL31233229 0.69 SMN1; SMN2 (0.45) SMN1; SMN2NPC1RAB9AHTR2CCYP2C19
SCHEMBL19942091 0.68 HTR2C (0.46) SMN1; SMN2NPC1RAB9AHTR2CCYP2C19
SCHEMBL3717717 0.68 SMN1; SMN2 (0.64) SMN1; SMN2NPC1RAB9AHTR2CCYP2C19
SCHEMBL4504921 0.68 SMN1; SMN2 (0.60) SMN1; SMN2NPC1RAB9AHTR2CCYP2C19
Aziridine SCHEMBL3264068 0.68 HTR2C (0.62) SMN1; SMN2NPC1RAB9AHTR2CCYP2C19
SCHEMBL10563196 0.68 SMN1; SMN2 (0.49) SMN1; SMN2NPC1RAB9AHTR2CCYP2C19
SCHEMBL1404453 0.68 SMN1; SMN2 (0.59) SMN1; SMN2NPC1RAB9AHTR2CCYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8399468-B2 Octahydro-pyrrolo[3,4-B]pyrrole derivatives ABBOTT LABORATORIES (US) 2013-03-19 US disclosed
US-20100222358-A1 OCTAHYDRO-PYRROLO[3,4-B]PYRROLE DERIVATIVES ABBOTT LABORATORIES (US) 2010-09-02 US disclosed
US-7728031-B2 Octahydro-pyrrolo[3,4-b]pyrrole derivatives ABBOTT LABORATORIES (US) 2010-06-01 US disclosed
US-20070232612-A1 Octahydro-pyrrolo[3,4-b]pyrrole Derivatives ABBVIE INC. 2007-10-04 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 (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-20100222358-A1 OCTAHYDRO-PYRROLO[3,4-B]PYRROLE DERIVATIVES HRH4, HRH2, TAC3 SMN1; SMN2 4347/4885NPC1 2428/4885RAB9A 2415/4885
US-20070232612-A1 Octahydro-pyrrolo[3,4-b]pyrrole Derivatives HRH4, HRH2, TAC3 SMN1; SMN2 4317/4885NPC1 2375/4885RAB9A 2457/4885

“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.