SCHEMBL4831202

SCHEMBL4831202

CCn1nnc(Cc2ccc(N)cc2)n1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.58
LMNA P02545 1/20 0.58
CNR2 P34972 4/20 0.49
TRPV1 Q8NER1 3/20 0.49
CNR1 P21554 1/20 0.49
HTR1A P08908 1/20 0.45
HTR2C P28335 1/20 0.45
CYP3A4 P08684 2/20 0.42
ALDH1A1 P00352 1/20 0.42
TSHR P16473 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
HDAC6 Q9UBN7 2/20 0.40
CYP17A1 P05093 1/20 0.40
CYP19A1 P11511 1/20 0.40
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
MGLL Q99685 5/20 0.39
DAGLA Q9Y4D2 1/20 0.39
NPC1 O15118 1/20 0.38
PKM P14618 1/20 0.38

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
SCHEMBL3458046 0.83 MGLL (0.55) SMN1; SMN2LMNACNR2TRPV1CNR1
SCHEMBL4404110 0.83 TRPV1 (0.59) SMN1; SMN2LMNACNR2TRPV1CNR1
SCHEMBL4825854 0.79 CYP3A4 (0.45) SMN1; SMN2LMNACNR2TRPV1CNR1
SCHEMBL4825891 0.77 ALDH1A1 (0.46) SMN1; SMN2CNR2TRPV1CNR1HTR1A
SCHEMBL5656124 0.76 SMN1; SMN2 (0.54) SMN1; SMN2LMNAHTR1AHTR2CCYP3A4
SCHEMBL3458999 0.74 MAOB (0.52) SMN1; SMN2LMNACNR2TRPV1CNR1
SCHEMBL7143641 0.74 LMNA (1.00) SMN1; SMN2LMNATDP1HDAC6NPC1
SCHEMBL1302376 0.71 SMN1; SMN2 (0.46) SMN1; SMN2LMNAHTR1AHTR2CNPC1
SCHEMBL1302329 0.70
SCHEMBL4407827 0.70 CNR2 (0.56) SMN1; SMN2CNR2TRPV1CNR1ALDH1A1

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
US-20080287438-A1 Agent for preventing or treating neuropathy MOMOSE YU 2008-11-20 US disclosed
US-7423159-B2 Agent for preventing or treating neuropathy TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-09-09 US disclosed
US-20060004069-A1 Agent for preventing or treating neuropathy TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-01-05 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-20060004069-A1 Agent for preventing or treating neuropathy NR2C2, NR0B2, NR2E1 SMN1; SMN2 75/4885LMNA 2405/4885CNR2 6/4885
US-20080287438-A1 Agent for preventing or treating neuropathy NR2C2, NR0B2, NR2E1 SMN1; SMN2 75/4885LMNA 2405/4885CNR2 6/4885

“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.