SCHEMBL2926102

SCHEMBL2926102

NC1=CCN(C(c2cccc(Cl)c2)c2ccc(CN3CCCC3)c(Cl)c2)c2cc(C(F)(F)F)ccc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 1/20 0.37
MGLL Q99685 4/20 0.35
ABHD6 Q9BV23 4/20 0.35
CYP2D6 P10635 1/20 0.35
PLA2G7 Q13093 2/20 0.35
KDM4E B2RXH2 3/20 0.34
ALDH1A1 P00352 3/20 0.34
GAA P10253 1/20 0.34
PIM1 P11309 1/20 0.33
PDGFRA P16234 1/20 0.33
S1PR1 P21453 1/20 0.33
S1PR5 Q9H228 1/20 0.33
CCR2 P41597 2/20 0.33
P2RX7 Q99572 1/20 0.33
POLB P06746 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
C5AR1 P21730 1/20 0.33
SIGMAR1 Q99720 1/20 0.32
MAOA P21397 1/20 0.32
MC4R P32245 1/20 0.32

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
SCHEMBL2924633 0.93 CYP2A13 (0.41) OPRL1MGLLABHD6PLA2G7KDM4E
SCHEMBL2928146 0.90 KDM4E (0.39) OPRL1MGLLABHD6PLA2G7KDM4E
SCHEMBL2927970 0.85 MGLL (0.36) MGLLABHD6CYP2D6PLA2G7KDM4E
SCHEMBL2929138 0.83 CYP2A13 (0.49) MGLLABHD6PLA2G7KDM4EP2RX7
SCHEMBL2925331 0.82 ALDH1A1 (0.44) OPRL1KDM4EALDH1A1GAACCR2
SCHEMBL2930911 0.80 ALDH1A1 (0.39) OPRL1CYP2D6KDM4EALDH1A1GAA
SCHEMBL2930922 0.80 KDM4E (0.37) KDM4EALDH1A1POLBTDP1SIGMAR1
SCHEMBL2931051 0.77 CXCR3 (0.40) MGLLABHD6PLA2G7KDM4E
SCHEMBL2929683 0.73 ALDH1A1 (0.46) CYP2D6KDM4EALDH1A1GAAPOLB
SCHEMBL2930004 0.71 KDM4E (0.48) OPRL1KDM4EALDH1A1POLBTDP1

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 OPRL1 4069/4885MGLL 4324/4885ABHD6 4660/4885

“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.