SCHEMBL7127076

SCHEMBL7127076

CC1CCc2nc3ccccc3c(Cl)c2C1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.70
KDM4E B2RXH2 3/20 0.70
ACHE P22303 7/20 0.51
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
MAPK1 P28482 2/20 0.48
MAPT P10636 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
NPSR1 Q6W5P4 2/20 0.48
SMYD3 Q9H7B4 1/20 0.46
HPGD P15428 1/20 0.44
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
BCHE P06276 5/20 0.44
TSHR P16473 2/20 0.44
HSD17B10 Q99714 2/20 0.44
CYP1A2 P05177 2/20 0.44
CYP3A4 P08684 2/20 0.44
CYP2D6 P10635 2/20 0.44
CYP2C19 P33261 2/20 0.44

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
SCHEMBL7388062 0.83 SMYD3 (0.52) ALDH1A1KDM4EACHEMAPTSMYD3
SCHEMBL30861628 0.79 ALDH1A1 (0.65) ALDH1A1KDM4EACHEMEN1KMT2A
SCHEMBL28874700 0.78 MAPT (0.59) ALDH1A1KDM4EACHEMAPTHPGD
SCHEMBL1337681 0.74 ACHE (0.70) ALDH1A1KDM4EACHEMAPK1MAPT
SCHEMBL30991441 0.74 ACHE (0.70) ALDH1A1KDM4EACHEMAPK1MAPT
SCHEMBL31139195 0.74 BCHE (0.70) ALDH1A1KDM4EACHEKMT2AMAPK1
SCHEMBL5467926 0.74 BCHE (0.70) ALDH1A1KDM4EACHEKMT2AMAPK1
SCHEMBL28410580 0.74 ACHE (0.64) ALDH1A1KDM4EACHEMAPK1MAPT
Hydrochloric Acid SCHEMBL10404004 0.73 ACHE (0.71) ALDH1A1KDM4EACHEKMT2AMAPK1
SCHEMBL31474710 0.73 BCHE (0.71) ALDH1A1KDM4EACHEMAPK1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030225078-A1 Derivatives of quinoline as alpha-2 antagonists ORION CORPORATION 2003-12-04 US disclosed
US-6593324-B2 P-aminoanilino- derivatives ORION CORPORATION (FI) 2003-07-15 US disclosed
EP-1263733-A2 DERIVATIVES OF QUINOLINE AS ALPHA-2 ANTAGONISTS ORION CORPORATION FARMOS (FI) 2002-12-11 EP disclosed
US-20010046991-A1 Derivatives of quinoline as alpha-2 antagonists OY JUVANTIA PHARMA LTD. (FI) 2001-11-29 US disclosed
WO-2001064645-A2 DERIVATIVES OF QUINOLINE AS ALPHA-2 ANTAGONISTS ORION CORPORATION (FI) 2001-09-07 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 (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-20030225078-A1 Derivatives of quinoline as alpha-2 antagonists ADRB2, ADRA2A, ADRB1 ALDH1A1 467/4885KDM4E 3467/4885ACHE 490/4885
US-20010046991-A1 Derivatives of quinoline as alpha-2 antagonists ADRB2, ADRA2A, ADRB1 ALDH1A1 467/4885KDM4E 3467/4885ACHE 490/4885

“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.