SCHEMBL4337886

SCHEMBL4337886

Cc1ccccc1-c1ccc(Cl)cn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.46
METAP2 P50579 1/20 0.46
NPC1 O15118 7/20 0.44
RAB9A P51151 7/20 0.44
HSD17B10 Q99714 3/20 0.44
TSHR P16473 2/20 0.44
HPGD P15428 2/20 0.44
ALOX15 P16050 2/20 0.43
HTT P42858 2/20 0.43
CYP1A2 P05177 5/20 0.41
CYP2C19 P33261 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
CYP2D6 P10635 4/20 0.41
ALDH1A1 P00352 4/20 0.41
CYP3A4 P08684 3/20 0.41
CLK4 Q9HAZ1 2/20 0.41
CASP3 P42574 2/20 0.41
SENP8 Q96LD8 2/20 0.41

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
SCHEMBL16872803 0.80 NPC1 (0.41) NPC1RAB9AALOX15HTTCYP1A2
SCHEMBL8227859 0.80 CCR1 (0.60) IDO1METAP2NPC1RAB9AHSD17B10
SCHEMBL3424160 0.79 IDO1 (0.55) IDO1METAP2NPC1RAB9AHSD17B10
SCHEMBL5328285 0.77 KDM1A (0.51) IDO1NPC1RAB9AHSD17B10HPGD
SCHEMBL15851441 0.77 IDO1 (0.46) IDO1NPC1RAB9AHSD17B10TSHR
SCHEMBL31114208 0.77 CYP11B1 (0.47) IDO1NPC1RAB9AHSD17B10TSHR
SCHEMBL28690289 0.77 MAP4K4 (0.44) NPC1RAB9ACYP1A2SMN1; SMN2TGFBR1
SCHEMBL14635903 0.77 IDO1 (0.46) IDO1METAP2NPC1RAB9AHSD17B10
SCHEMBL2005454 0.77 IDO1 (0.46) IDO1METAP2NPC1RAB9AHSD17B10
SCHEMBL8272468 0.77 IDO1 (0.46) IDO1METAP2NPC1RAB9AHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7579362-B2 Aza-bicycloalkyl ethers and their use as alpha7-nAChR agonists NOVARTIS AG (CH) 2009-08-25 US disclosed
US-20070249617-A1 Aza-bicycloalkyl ethers and their use as alpha7-nachr agonists NOVARTIS AG (CH) 2007-10-25 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-20070249617-A1 Aza-bicycloalkyl ethers and their use as alpha7-nachr agonists CHRNA7, CHRNA1, CHRNE IDO1 1620/4885METAP2 3921/4885NPC1 3121/4885

“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.