SCHEMBL1787583

SCHEMBL1787583

CC(=O)N(C)Cc1ccc2c(c1)CCN(C1=CC=C1)CC2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.40
ALDH1A1 P00352 1/20 0.40
POLB P06746 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PDK2 Q15119 1/20 0.37
RXRA P19793 1/20 0.37
RXRB P28702 1/20 0.37
RXRG P48443 1/20 0.37
GRIA2 P42262 1/20 0.36
RORC P51449 4/20 0.36
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC11 Q96DB2 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
HDAC9 Q9UKV0 1/20 0.36

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
SCHEMBL1789824 0.83 HDAC1 (0.34) RXRARXRBRXRGRORCHDAC1
SCHEMBL12010845 0.81 DRD2 (0.47) MAPTALDH1A1POLBSMN1; SMN2PDK2
SCHEMBL1790800 0.79 AOC3 (0.43)
SCHEMBL19033381 0.79 RXRA (0.48) MAPTALDH1A1POLBSMN1; SMN2PDK2
SCHEMBL12010809 0.78 ALDH1A1 (0.41) MAPTALDH1A1POLBSMN1; SMN2PDK2
SCHEMBL12010846 0.78 ALDH1A1 (0.39) MAPTALDH1A1POLBSMN1; SMN2PDK2
SCHEMBL1789593 0.78 ALDH1A1 (0.43) MAPTALDH1A1SMN1; SMN2CYP2D6MEN1
SCHEMBL1790111 0.77 GRIN2B (0.39)
Potassium Ion SCHEMBL1787642 0.77 ALDH1A1 (0.34) MAPTALDH1A1SMN1; SMN2CYP2D6MEN1
SCHEMBL1790557 0.77 ALDH1A1 (0.37) MAPTALDH1A1SMN1; SMN2HDAC1HDAC6

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-20110124626-A1 BENZAZEPINE DERIVATIVES AND THEIR USE AS HISTAMINE H3 ANTAGONISTS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-05-26 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-20110124626-A1 BENZAZEPINE DERIVATIVES AND THEIR USE AS HISTAMINE H3 ANTAGONISTS HRH4, HRH3, HRH2 MAPT 3598/4885ALDH1A1 1526/4885POLB 4401/4885

“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.