SCHEMBL10230451

SCHEMBL10230451

C=C(N)c1ccc2c(c1)CCN2CC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.45
NOTUM Q6P988 1/20 0.42
S1PR1 P21453 1/20 0.41
HDAC1 Q13547 2/20 0.38
HDAC8 Q9BY41 2/20 0.38
HDAC6 Q9UBN7 2/20 0.38
HDAC3 O15379 1/20 0.38
CYP2C19 P33261 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC9 Q9UKV0 1/20 0.38
HDAC5 Q9UQL6 1/20 0.38
HRH3 Q9Y5N1 1/20 0.37
TP53 P04637 4/20 0.36
POLB P06746 2/20 0.36
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGD P15428 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
SCHEMBL4532416 0.81 ACHE (0.45) ACHENOTUMS1PR1HDAC1HDAC8
SCHEMBL20178650 0.80 ACHE (0.54) ACHENOTUMTP53POLBKDM4E
SCHEMBL19036743 0.80 ACHE (0.42) ACHENOTUMTP53KDM4EALDH1A1
SCHEMBL10473419 0.79 HRH3 (0.48) ACHEHDAC1HDAC8HDAC6HDAC3
SCHEMBL618018 0.76 ATAD2 (0.55) ACHENOTUMS1PR1HRH3TP53
SCHEMBL30049294 0.76 DRD2 (0.49) ACHENOTUMS1PR1HRH3ALDH1A1
SCHEMBL30168583 0.76 ATAD2 (0.55) ACHENOTUMS1PR1HRH3TP53
SCHEMBL20178648 0.75 SRD5A1 (0.58) ACHETP53POLBKDM4EALDH1A1
SCHEMBL20405882 0.75 HRH3 (0.45) ACHEHRH3MAPTMEN1KMT2A
SCHEMBL27611315 0.74 ACHE (0.57) ACHENOTUMS1PR1KDM4EALDH1A1

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-8163761-B2 Methods and compositions for treating disorders HYDRA BIOSCIENCES, INC. (US) 2012-04-24 US disclosed
US-20090143377-A1 METHODS AND COMPOSITIONS FOR TREATING DISORDERS ELI LILLY AND COMPANY 2009-06-04 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-20090143377-A1 METHODS AND COMPOSITIONS FOR TREATING DISORDERS TRPA1, TRPV1, TRPV3 ACHE 269/4885NOTUM 2201/4885S1PR1 1690/4885

“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.