SCHEMBL14217237

SCHEMBL14217237

CC1CCN(c2cc(N)c(N)cc2Cl)CC1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.68
HTT P42858 1/20 0.68
MAPT P10636 7/20 0.58
MEN1 O00255 3/20 0.58
KMT2A Q03164 3/20 0.58
GAA P10253 3/20 0.54
USP2 O75604 1/20 0.54
KDM4E B2RXH2 5/20 0.48
POLB P06746 3/20 0.48
NR4A1 P22736 1/20 0.48
HSD17B10 Q99714 1/20 0.48
NPC1 O15118 2/20 0.44
HPGD P15428 2/20 0.44
RAB9A P51151 2/20 0.44
LMNA P02545 1/20 0.42
RAD52 P43351 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
CTPS1 P17812 1/20 0.37

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
SCHEMBL30336768 0.88 ALDH1A1 (0.62) ALDH1A1HTTMAPTMEN1KMT2A
SCHEMBL25183842 0.88 ALDH1A1 (0.62) ALDH1A1HTTMAPTMEN1KMT2A
SCHEMBL14217256 0.84 ALDH1A1 (0.57) ALDH1A1HTTMAPTMEN1KMT2A
SCHEMBL29990026 0.81 ALDH1A1 (1.00) ALDH1A1HTTMAPTMEN1KMT2A
SCHEMBL9899457 0.78 ALDH1A1 (0.43) ALDH1A1HTTMAPTMEN1KMT2A
SCHEMBL9939917 0.77 HRH4 (0.43) ALDH1A1HTTMAPTMEN1KMT2A
SCHEMBL23043624 0.76 POLB (0.66) ALDH1A1HTTMAPTMEN1KMT2A
SCHEMBL29978698 0.76 POLB (0.66) ALDH1A1HTTMAPTMEN1KMT2A
SCHEMBL30458638 0.74 MAPT (0.66) ALDH1A1MAPTMEN1KMT2AGAA
SCHEMBL17651382 0.74 MAPT (0.66) ALDH1A1MAPTMEN1KMT2AGAA

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-8466186-B2 Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-06-18 US disclosed
US-20120309738-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-12-06 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-20120309738-A1 NOVEL COMPOUNDS PTGER1, PTGS1, PTGES ALDH1A1 140/4885HTT 4371/4885MAPT 4308/4885

“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.