SCHEMBL3393553

SCHEMBL3393553

c1cnnc(C2CC(c3cccnn3)CC(c3cccnn3)C2)c1

nearest known ligand 0.37

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GOT1 P17174 1/20 0.37
KDM5A P29375 1/20 0.35
P2RX7 Q99572 1/20 0.31
PDE9A O76083 1/20 0.30

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
SCHEMBL29765569 0.86
SCHEMBL16060787 0.86
SCHEMBL17675448 0.82 CYP11B2 (0.42) GOT1KDM5APDE9A
SCHEMBL31119419 0.80 CYP11B2 (0.46) KDM5APDE9A
SCHEMBL277675 0.80 CYP11B2 (0.46) KDM5APDE9A
SCHEMBL7897228 0.80 CHRNB4 (0.39) GOT1KDM5APDE9A
SCHEMBL2102983 0.79 KDM5A (0.34) GOT1KDM5APDE9A
Hydrochloric Acid SCHEMBL3716407 0.79 CHRNB4 (0.38) GOT1KDM5APDE9A
Hydrochloric Acid SCHEMBL1742156 0.79 CHRNB4 (0.38) GOT1KDM5APDE9A
SCHEMBL25415197 0.77 GOT1 (0.35) GOT1KDM5AP2RX7PDE9A

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 6 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
WO-2008048967-A1 TRIPODAL CYCLOHEXANE DERIVATIVES AND THEIR USE AS CARBOHYDRATE RECEPTORS UNIVERSITY OF ROCHESTER (US) 2008-04-24 WO 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
WO-2008048967-A1 TRIPODAL CYCLOHEXANE DERIVATIVES AND THEIR USE AS CARBOHYDRATE RECEPTORS UNIVERSITY OF ROCHESTER (US) 2008-04-24 WO 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 GOT1 4043/4885KDM5A 4312/4885P2RX7 956/4885

“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.