SCHEMBL3763909

SCHEMBL3763909

C=CCNCCN(CCC(c1ccccc1)c1ccccc1)C1CCCCC1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 2/20 0.38
ALDH1A1 P00352 2/20 0.38
LMNA P02545 1/20 0.38
HTR2A P28223 1/20 0.36
HRH1 P35367 1/20 0.36
ADRB2 P07550 1/20 0.36
ADRB1 P08588 1/20 0.36
SOS1 Q07889 1/20 0.35
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
DRD2 P14416 1/20 0.35
DRD4 P21917 1/20 0.35
DRD3 P35462 1/20 0.35
BCHE P06276 2/20 0.34

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
SCHEMBL6289736 0.99 CCR5 (0.39) CCR5ALDH1A1LMNAHTR2AHRH1
SCHEMBL1779062 0.84 KCNH2 (0.41) CCR5HTR2AHRH1SOS1KMT2A
SCHEMBL1779031 0.82 KCNH2 (0.42) CCR5LMNAHTR2AHRH1SOS1
SCHEMBL11585415 0.73 HTR2A (0.55) ALDH1A1LMNAHTR2AHRH1ADRB2
SCHEMBL18107005 0.72 AOC3 (0.42) ALDH1A1LMNAKMT2AMEN1BCHE
SCHEMBL2437635 0.70 KMT2A (0.49) CCR5ALDH1A1LMNAHTR2AHRH1
SCHEMBL2433881 0.65 SOS1 (0.51) CCR5ALDH1A1HTR2AHRH1SOS1
SCHEMBL1779066 0.64 TAAR1 (0.38) KMT2AMEN1
SCHEMBL12342272 0.64 SLC6A2 (0.34) ALDH1A1LMNABCHE
SCHEMBL1780147 0.63 SOS1 (0.60) ALDH1A1HTR2AHRH1SOS1

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
EP-1513825-B1 ANTI TUBERCULAR DRUG: COMPOSITIONS AND METHODS Dept of Health and Human Services (US) 2016-10-05 EP disclosed
US-7842729-B2 Anti tubercular drug: compositions and methods THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2010-11-30 US disclosed
US-20060020041-A1 Anti tubercular drug: compositions and methods SEQUELLA, INC. 2006-01-26 US disclosed
US-6951961-B2 Methods of use and compositions for the diagnosis and treatment of infectious disease GOVERNMENT OF THE UNITED STATES OF AMERICA REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES 2005-10-04 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-20060020041-A1 Anti tubercular drug: compositions and methods C5, DERA, ELL CCR5 338/4885ALDH1A1 1277/4885LMNA 1085/4885

“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.