SCHEMBL4834397

SCHEMBL4834397

CCn1nnnc1Cc1ccc(N)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.48
HTR1A P08908 1/20 0.45
ALDH1A1 P00352 5/20 0.42
CYP3A4 P08684 2/20 0.42
TSHR P16473 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
KMT2A Q03164 2/20 0.38
RXFP1 Q9HBX9 1/20 0.38
TRPV1 Q8NER1 1/20 0.36
ALOX15 P16050 1/20 0.36
FAAH O00519 1/20 0.36
MGLL Q99685 1/20 0.36
CYP17A1 P05093 1/20 0.36
CYP19A1 P11511 1/20 0.36
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
MEN1 O00255 1/20 0.35
PTGS2 P35354 1/20 0.35

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
SCHEMBL4408226 0.83 CNR2 (0.57) CNR2HTR1AALDH1A1LMNAKMT2A
SCHEMBL4834216 0.83 ALDH1A1 (0.45) CNR2HTR1AALDH1A1CYP3A4TSHR
SCHEMBL4825713 0.77 ALDH1A1 (0.49) CNR2HTR1AALDH1A1TSHRLMNA
SCHEMBL5654634 0.76 ALDH1A1 (0.40) HTR1AALDH1A1LMNASMN1; SMN2KMT2A
SCHEMBL6359707 0.71 PKM (0.51) CNR2ALDH1A1TSHRLMNASMN1; SMN2
SCHEMBL25013971 0.70
SCHEMBL4405662 0.70 CNR2 (0.55) CNR2ALDH1A1TDP1LMNASMN1; SMN2
SCHEMBL31022691 0.69 CYP19A1 (0.43) CNR2ALDH1A1TSHRKMT2ACYP19A1
SCHEMBL4405717 0.68 CNR2 (0.52) CNR2ALDH1A1TSHRTDP1LMNA
SCHEMBL2163916 0.67

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 CNR2 6/4885HTR1A 1797/4885ALDH1A1 2652/4885
US-20080287438-A1 Agent for preventing or treating neuropathy NR2C2, NR0B2, NR2E1 CNR2 6/4885HTR1A 1797/4885ALDH1A1 2652/4885

“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.