SCHEMBL425588

SCHEMBL425588

O=C(N1CCN(Cc2ccccc2)CC1)n1cnc(-c2ccccc2)c1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.54
DRD4 P21917 1/20 0.54
DRD3 P35462 1/20 0.54
FAAH O00519 5/20 0.50
MGLL Q99685 5/20 0.50
LMNA P02545 2/20 0.50
KMT2A Q03164 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
MEN1 O00255 1/20 0.50
TSHR P16473 1/20 0.50
MAPK1 P28482 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
HTR1A P08908 1/20 0.49
HTR7 P34969 1/20 0.49
ALDH1A1 P00352 3/20 0.49
KDM4E B2RXH2 1/20 0.48

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
SCHEMBL19281781 0.93 FAAH (0.58) DRD2DRD4DRD3FAAHMGLL
SCHEMBL425593 0.90 GAA (0.47) DRD2DRD4DRD3FAAHMGLL
SCHEMBL19293990 0.86 FAAH (0.47) FAAHKMT2ASMN1; SMN2MEN1L3MBTL1
SCHEMBL443690 0.82 FAAH (0.57) DRD4FAAHMGLLTSHRMAPK1
SCHEMBL425475 0.81 TACR3 (0.53) FAAHMGLLLMNAKMT2AMEN1
SCHEMBL426612 0.79 ALDH1A1 (0.51) LMNAKMT2ASMN1; SMN2TSHRALDH1A1
SCHEMBL4425296 0.79 HTR7 (0.57) DRD2DRD4DRD3LMNAKMT2A
SCHEMBL27791391 0.78 ALDH1A1 (0.70) FAAHMGLLLMNAKMT2ASMN1; SMN2
SCHEMBL17460234 0.78 MGLL (0.60) FAAHMGLLLMNAKMT2AMEN1
SCHEMBL424816 0.77 DRD2 (0.57) DRD2DRD4DRD3FAAH

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-9353082-B2 Pharmaceutical compounds BIAL—PORTELA & CA, S.A. (PT) 2016-05-31 US disclosed
US-9353082-B2 Pharmaceutical compounds BIAL—PORTELA & CA, S.A. (PT) 2016-05-31 US disclosed
US-9353082-B2 Pharmaceutical compounds BIAL—PORTELA & CA, S.A. (PT) 2016-05-31 US disclosed
US-20120065191-A1 PHARMACEUTICAL COMPOUNDS BIAL - PORTELA & Cª, S.A. (PT) 2012-03-15 US disclosed
US-20120065191-A1 PHARMACEUTICAL COMPOUNDS BIAL - PORTELA & Cª, S.A. (PT) 2012-03-15 US disclosed
US-20120065191-A1 PHARMACEUTICAL COMPOUNDS BIAL - PORTELA & Cª, S.A. (PT) 2012-03-15 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-20120065191-A1 PHARMACEUTICAL COMPOUNDS FAAH, FAAH2, ASAH1 DRD2 1602/4885DRD4 2351/4885DRD3 1627/4885

“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.