SCHEMBL7887697

SCHEMBL7887697

Cc1ccc(-c2ccc3c(c2)nc2n3CCN(C3CCCC3C)CC2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 6/20 0.37
LMNA P02545 3/20 0.37
ALDH1A1 P00352 7/20 0.37
MAPT P10636 6/20 0.37
SMN1; SMN2 Q16637 5/20 0.37
KDM4E B2RXH2 4/20 0.37
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
POLB P06746 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
GAA P10253 1/20 0.35
GRM2 Q14416 1/20 0.34
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
HPGD P15428 1/20 0.33
CYP2C19 P33261 1/20 0.33
USP2 O75604 1/20 0.33
USP30 Q70CQ3 1/20 0.32

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
SCHEMBL7889358 0.88 MAPT (0.45) TP53LMNAALDH1A1MAPTSMN1; SMN2
SCHEMBL7890600 0.88 HRH3 (0.37) ALDH1A1MAPTSMN1; SMN2KDM4ENPC1
SCHEMBL10176666 0.85 MAPT (0.47) TP53LMNAALDH1A1MAPTSMN1; SMN2
SCHEMBL7885644 0.84 MAPT (0.49) TP53LMNAALDH1A1MAPTSMN1; SMN2
SCHEMBL10176662 0.83 MAPT (0.39) TP53LMNAALDH1A1MAPTSMN1; SMN2
SCHEMBL10176946 0.82 TP53 (0.40) TP53LMNAALDH1A1MAPTSMN1; SMN2
SCHEMBL10176668 0.82 MAPT (0.36) TP53LMNAALDH1A1MAPTSMN1; SMN2
SCHEMBL10176657 0.81 ALDH1A1 (0.39) TP53LMNAALDH1A1MAPTSMN1; SMN2
SCHEMBL7887689 0.80 MAPT (0.39) TP53LMNAALDH1A1MAPTSMN1; SMN2
SCHEMBL10298608 0.80 MAPT (0.56) TP53LMNAALDH1A1MAPTSMN1; SMN2

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-8404670-B2 Histamine H3 inverse agonists and antagonists and methods of use thereof SUNOVION PHARMACEUTICALS INC. (US) 2013-03-26 US disclosed
US-20120022050-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. 2012-01-26 US disclosed
US-8063032-B2 Histamine H3 inverse agonists and antagonists and methods of use thereof SUNOVION PHARMACEUTICALS INC. (US) 2011-11-22 US disclosed
US-20100204214-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. 2010-08-12 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 (2 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-20100204214-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF HRH3, HRH4, HRH2 TP53 4740/4885LMNA 4701/4885ALDH1A1 2598/4885
US-20120022050-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF HRH3, HRH4, HRH2 TP53 4740/4885LMNA 4701/4885ALDH1A1 2598/4885

“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.