SCHEMBL3388660

SCHEMBL3388660

Nc1ccnc(C2CC(c3cc(N)ccn3)CC(c3cc(N)ccn3)C2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ASIC3 Q9UHC3 2/20 0.44
CHRNB2 P17787 2/20 0.37
CHRNA4 P43681 2/20 0.37
ADORA2A P29274 2/20 0.36
ADORA1 P30542 2/20 0.36
CHRNA7 P36544 2/20 0.35
MAPT P10636 5/20 0.33
SMN1; SMN2 Q16637 4/20 0.33
CHRM1 P11229 2/20 0.33
ALDH1A1 P00352 2/20 0.33
TSHR P16473 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
LMNA P02545 2/20 0.33
GRIN2D O15399 1/20 0.33
GRIN3B O60391 1/20 0.33
ADRA1D P25100 1/20 0.33
ADRA1A P35348 1/20 0.33
ADRA1B P35368 1/20 0.33
GRIN1 Q05586 1/20 0.33

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
SCHEMBL18989494 0.88 ASIC3 (0.39) ASIC3CHRNB2CHRNA4ADORA2AADORA1
SCHEMBL12068738 0.87 ADORA2A (0.45) ASIC3ADORA2AADORA1CHRNA7MAPT
SCHEMBL4183278 0.83 CHRNA7 (0.42) ASIC3ADORA2AADORA1CHRNA7MAPT
SCHEMBL27470894 0.83 ASIC3 (0.41) ASIC3ADORA2AADORA1CHRNA7MAPT
SCHEMBL29851723 0.83 CHRNA7 (0.46) ASIC3ADORA2AADORA1CHRNA7MAPT
SCHEMBL18957072 0.83 CHRNA7 (0.46) ASIC3ADORA2AADORA1CHRNA7MAPT
SCHEMBL18956812 0.82 KDM4E (0.44) ASIC3ADORA2AADORA1CHRNA7MAPT
SCHEMBL30856759 0.82 ASIC3 (0.40) ASIC3ADORA2AADORA1CHRNA7MAPT
SCHEMBL22545239 0.82 ASIC3 (0.40) ASIC3ADORA2AADORA1CHRNA7MAPT
SCHEMBL30073115 0.82 KDM4E (0.44) ASIC3ADORA2AADORA1CHRNA7MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8716472-B2 Tripodal cyclohexane derivatives and their use as carbohydrate receptors UNIVERSITY OF ROCHESTER (US) 2014-05-06 US claimed
US-20100041568-A1 TRIPODAL CYCLOHEXANE DERIVATIVES AND THEIR USE AS CARBOHYDRATE RECEPTORS UNIVERSITY OF ROCHESTER (US) 2010-02-18 US claimed
US-8716472-B2 Tripodal cyclohexane derivatives and their use as carbohydrate receptors UNIVERSITY OF ROCHESTER (US) 2014-05-06 US disclosed
US-20100041568-A1 TRIPODAL CYCLOHEXANE DERIVATIVES AND THEIR USE AS CARBOHYDRATE RECEPTORS UNIVERSITY OF ROCHESTER (US) 2010-02-18 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-20100041568-A1 TRIPODAL CYCLOHEXANE DERIVATIVES AND THEIR USE AS CARBOHYDRATE RECEPTORS CA14, HCAR1, CCKAR ASIC3 2044/4885CHRNB2 1499/4885CHRNA4 1074/4885

“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.