SCHEMBL2925331

SCHEMBL2925331

NC1=CCN(C(c2ccc(Cl)cc2)c2ccc(CN3CCCC3)cc2)c2cc(C(F)(F)F)ccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
KDM4E B2RXH2 3/20 0.44
LMNA P02545 1/20 0.39
NR1I2 O75469 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
CNR1 P21554 1/20 0.39
HRH1 P35367 1/20 0.39
OPRK1 P41145 1/20 0.39
PDE4D Q08499 1/20 0.39
KCNH2 Q12809 1/20 0.39
GHSR Q92847 1/20 0.39
OPRL1 P41146 2/20 0.39
GAA P10253 1/20 0.39
CCR2 P41597 3/20 0.39
CASP1 P29466 1/20 0.38
CASP4 P49662 1/20 0.38
CASP5 P51878 1/20 0.38
CACNA1G O43497 1/20 0.38
CHKA P35790 1/20 0.36
HRH3 Q9Y5N1 1/20 0.35

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
SCHEMBL2927970 0.89 MGLL (0.36) ALDH1A1KDM4E
SCHEMBL2929683 0.89 ALDH1A1 (0.46) ALDH1A1KDM4ELMNANR1I2ADORA3
SCHEMBL2930911 0.82 ALDH1A1 (0.39) ALDH1A1KDM4ELMNANR1I2ADORA3
SCHEMBL2926102 0.82 OPRL1 (0.37) ALDH1A1KDM4EOPRL1GAACCR2
SCHEMBL2926881 0.80 CYP2D6 (0.40) LMNANR1I2ADORA3CNR1HRH1
SCHEMBL2923695 0.80 CYP2A13 (0.40) ALDH1A1KDM4ELMNAKCNH2HRH3
SCHEMBL2931051 0.79 CXCR3 (0.40) KDM4E
SCHEMBL2930051 0.77 ALDH1A1 (0.42) ALDH1A1KDM4ELMNACHKAHRH3
SCHEMBL2924633 0.75 CYP2A13 (0.41) ALDH1A1KDM4ELMNAOPRL1
SCHEMBL4554452 0.74 DRD2 (0.40) LMNANR1I2ADORA3CNR1HRH1

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-2121616-B1 NOVEL 4-AMINO-QUINOLINE DERIVATIVES USEFUL AS ANTI-MALARIA DRUGS CAMPIANI GIUSEPPE (IT) 2010-09-15 EP claimed
US-20100093726-A1 NOVEL 4-AMINO-QUINOLINE DERIVATIVES USEFUL AS ANTI-MALARIA DRUGS GIUSEPPE CAMPIANI (IT) 2010-04-15 US claimed
EP-2121616-B1 NOVEL 4-AMINO-QUINOLINE DERIVATIVES USEFUL AS ANTI-MALARIA DRUGS CAMPIANI GIUSEPPE (IT) 2010-09-15 EP disclosed
US-20100093726-A1 NOVEL 4-AMINO-QUINOLINE DERIVATIVES USEFUL AS ANTI-MALARIA DRUGS GIUSEPPE CAMPIANI (IT) 2010-04-15 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-20100093726-A1 NOVEL 4-AMINO-QUINOLINE DERIVATIVES USEFUL AS ANTI-MALARIA DRUGS QTRT1, QTRT2, IL4I1 ALDH1A1 4027/4885KDM4E 315/4885LMNA 2153/4885

“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.