SCHEMBL3317869

SCHEMBL3317869

CC(NC1CN(C(=O)Cc2ccc(Oc3ccccc3)cc2)C1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.47
NPY5R Q15761 1/20 0.46
FAAH O00519 1/20 0.46
ALDH1A1 P00352 3/20 0.45
HPGD P15428 2/20 0.45
LMNA P02545 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
TSHR P16473 1/20 0.44
MAPT P10636 1/20 0.44
ACACB O00763 2/20 0.44
ACACA Q13085 2/20 0.44
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
CTSK P43235 1/20 0.42
TPSAB1 Q15661 1/20 0.42
TPSD1 Q9BZJ3 1/20 0.42
TPSG1 Q9NRR2 1/20 0.42

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
SCHEMBL3315251 0.83 ACACB (0.52) HRH3ACACBACACAGAAL3MBTL1
SCHEMBL3318489 0.82 MEN1 (0.60) HRH3ALDH1A1ACACBACACACYP3A4
SCHEMBL3313789 0.80 FAAH (0.46) NPY5RFAAHALDH1A1HPGDLMNA
SCHEMBL16000498 0.78 ALDH1A1 (0.54) HRH3FAAHALDH1A1LMNARAB9A
SCHEMBL3318035 0.77 FAAH (0.53) FAAHALDH1A1HPGDLMNARAB9A
SCHEMBL3316432 0.77 KMT2A (0.47) FAAHALDH1A1HPGDLMNARAB9A
SCHEMBL16002988 0.75 EPHX2 (0.56) FAAHALDH1A1LMNARAB9ASMN1; SMN2
SCHEMBL3313736 0.73 LTA4H (0.44) FAAHALDH1A1HPGDLMNARAB9A
SCHEMBL3316343 0.72 GAA (0.49) HRH3ACACBACACAGAAL3MBTL1
SCHEMBL3318604 0.70 KDM1A (0.49) RAB9AACACB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100105651-A1 ANTAGONISTS OF SNS SODIUM CHANNELS VERNALIS (R&D) LIMITED (GB) 2010-04-29 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-20100105651-A1 ANTAGONISTS OF SNS SODIUM CHANNELS CNR1, OPRL1, CHRNA10 HRH3 360/4885NPY5R 178/4885FAAH 637/4885

“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.