SCHEMBL4728810

SCHEMBL4728810

Clc1ccc2c(NCCN3CCCCC3)ccnc2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 10/20 0.86
MEN1 O00255 1/20 0.80
KMT2A Q03164 1/20 0.80
CYP1A2 P05177 1/20 0.68
CYP2D6 P10635 1/20 0.65
HPGD P15428 1/20 0.65
TSHR P16473 1/20 0.65
SMN1; SMN2 Q16637 1/20 0.65
CCR1 P32246 1/20 0.65

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
SCHEMBL8540316 0.99 HRH3 (0.84) HRH3MEN1KMT2ACYP1A2CCR1
SCHEMBL491793 0.93 HRH3 (1.00) HRH3MEN1KMT2ACCR1
SCHEMBL491772 0.92 HRH3 (1.00) HRH3MEN1KMT2ACCR1
SCHEMBL8545622 0.91 HRH3 (0.98) HRH3MEN1KMT2ACCR1
SCHEMBL491855 0.91 HRH3 (1.00) HRH3MEN1KMT2ACCR1
SCHEMBL5289503 0.91 HRH3 (0.98) HRH3MEN1KMT2ACCR1
SCHEMBL7430746 0.91 HRH3 (1.00) HRH3MEN1KMT2ACCR1
SCHEMBL492046 0.91 HRH3 (1.00) HRH3MEN1KMT2ACCR1
SCHEMBL2443304 0.91 HRH3 (0.95) HRH3MEN1KMT2A
SCHEMBL491898 0.91 HRH3 (1.00) HRH3MEN1KMT2ACCR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5596002-A TREATMENT OF ANTIBIOTIC RESISTANT MICROORGANISMS HOFFMANN-LA ROCHE INC. (US) 1997-01-21 US claimed
EP-0656353-A1 Aminochinoline derivates useful in the treatment of malaria F. HOFFMANN-LA ROCHE AG (CH) 1995-06-07 EP claimed
WO-2008021210-A2 METHODS AND COMPOSITIONS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS COMBINATORX, INCORPORATED (US) 2008-02-21 WO disclosed
US-20080044390-A1 Methods and compositions for the treatment of neurodegenerative disorders CHDI, INCORPORATED 2008-02-21 US disclosed
EP-0656353-B1 Aminochinoline derivates useful in the treatment of malaria HOFFMANN LA ROCHE (CH) 1998-06-03 EP disclosed
US-5596002-A TREATMENT OF ANTIBIOTIC RESISTANT MICROORGANISMS HOFFMANN-LA ROCHE INC. (US) 1997-01-21 US disclosed
EP-0656353-A1 Aminochinoline derivates useful in the treatment of malaria F. HOFFMANN-LA ROCHE AG (CH) 1995-06-07 EP 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-20080044390-A1 Methods and compositions for the treatment of neurodegenerative disorders HTT, SNCA, NLN HRH3 1281/4885MEN1 3687/4885KMT2A 1354/4885

“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.