SCHEMBL5763601

SCHEMBL5763601

CN(C)CCn1cc(C(=O)N2CCN(c3cccc(Cl)c3)CC2)c(-c2ccccc2)c1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.54
TSHR P16473 4/20 0.52
LMNA P02545 3/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
MAPK1 P28482 1/20 0.51
HTT P42858 1/20 0.51
NPC1 O15118 1/20 0.51
ALOX15 P16050 1/20 0.51
RAB9A P51151 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
HRH3 Q9Y5N1 1/20 0.48
HTR1A P08908 2/20 0.47
HTR7 P34969 1/20 0.47

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
Hydrochloric Acid SCHEMBL6494890 0.99 ALDH1A1 (0.53) ALDH1A1TSHRLMNAMEN1KMT2A
SCHEMBL1381849 0.87 ALDH1A1 (0.57) ALDH1A1TSHRLMNAMEN1KMT2A
SCHEMBL6503195 0.85 TSHR (0.54) ALDH1A1TSHRLMNAMEN1KMT2A
Hydrochloric Acid SCHEMBL6503249 0.84 TSHR (0.53) ALDH1A1TSHRLMNAMEN1KMT2A
SCHEMBL5760591 0.77 USP2 (0.47) ALDH1A1TSHRLMNAMEN1KMT2A
SCHEMBL6495850 0.77 ALDH1A1 (0.66) ALDH1A1TSHRLMNAMEN1KMT2A
SCHEMBL6502353 0.76 NOTUM (0.44) ALDH1A1TSHRLMNAMEN1KMT2A
SCHEMBL5760134 0.74 LMNA (0.46) ALDH1A1TSHRLMNAMEN1KMT2A
SCHEMBL6493406 0.74 ALDH1A1 (0.47) ALDH1A1TSHRLMNAMEN1KMT2A
SCHEMBL1383360 0.73 NOTUM (0.46) ALDH1A1TSHRLMNAMEN1KMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050014765-A1 Aryl-heteroaromatic products, compositions comprising them and use AVENTIS PHARMA S.A. (FR) 2005-01-20 US claimed
EP-1641765-A1 ARYL-HETEROAROMATIC PRODUCTS, COMPOSITIONS CONTAINING SAME AND USE THEREOF Aventis Pharma S.A. (FR) 2006-04-05 EP disclosed
WO-2004108685-A1 ARYL-HETEROAROMATIC PRODUCTS, COMPOSITIONS CONTAINING SAME AND USE THEREOF AVENTIS PHARMA S.A. (FR) 2004-12-16 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-20050014765-A1 Aryl-heteroaromatic products, compositions comprising them and use AHR, ARNT, MYC ALDH1A1 240/4885TSHR 3838/4885LMNA 3596/4885

“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.