SCHEMBL4825854

SCHEMBL4825854

Cn1nnc(Cc2ccc(N)cc2)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.45
ALDH1A1 P00352 1/20 0.45
TSHR P16473 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
HTR1A P08908 1/20 0.44
HTR2C P28335 1/20 0.44
CNR2 P34972 4/20 0.41
TRPV1 Q8NER1 3/20 0.41
CNR1 P21554 1/20 0.41
CYSLTR2 Q9NS75 1/20 0.40
CYSLTR1 Q9Y271 1/20 0.40
GFER P55789 1/20 0.40
DRD2 P14416 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
CYP17A1 P05093 1/20 0.38
CYP19A1 P11511 1/20 0.38
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
MGLL Q99685 4/20 0.38
DAGLA Q9Y4D2 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
SCHEMBL3815546 0.84 HTR1A (0.45) ALDH1A1HTR1AHTR2CCNR2TRPV1
SCHEMBL4406015 0.81 CNR2 (0.50) ALDH1A1TSHRHTR1AHTR2CCNR2
SCHEMBL4831202 0.79 SMN1; SMN2 (0.58) CYP3A4ALDH1A1TSHRTDP1HTR1A
SCHEMBL5659034 0.75 NPC1 (0.40) CYP3A4ALDH1A1TSHRHTR1ADRD2
SCHEMBL25405270 0.73 HTR1A (0.39) HTR1AHTR2CCNR2TRPV1CNR1
SCHEMBL1674237 0.68 SMN1; SMN2 (0.62) CYP3A4ALDH1A1TDP1LMNASMN1; SMN2
SCHEMBL4834216 0.68 ALDH1A1 (0.45) CYP3A4ALDH1A1TSHRTDP1HTR1A
Hydrochloric Acid SCHEMBL4681506 0.66
SCHEMBL1304762 0.66 CYP3A4 (1.00) CYP3A4ALDH1A1TSHRTDP1GFER
4,4'-Methylenedianiline SCHEMBL28001 0.66 CYP3A4 (1.00) CYP3A4ALDH1A1TSHRTDP1GFER

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 CYP3A4 2152/4885ALDH1A1 2652/4885TSHR 1173/4885
US-20080287438-A1 Agent for preventing or treating neuropathy NR2C2, NR0B2, NR2E1 CYP3A4 2152/4885ALDH1A1 2652/4885TSHR 1173/4885

“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.