SCHEMBL269209

SCHEMBL269209

CC(C)(C)NCc1ccnc2ccccc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.55
HTR1A P08908 2/20 0.47
ADRA1D P25100 2/20 0.47
ADRA1A P35348 2/20 0.47
ADRA1B P35368 2/20 0.47
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
NCF1 P14598 1/20 0.44
FERMT2 Q96AC1 1/20 0.42
CYP1A2 P05177 4/20 0.42
CYP2D6 P10635 3/20 0.42
CYP3A4 P08684 1/20 0.42
HIF1A Q16665 1/20 0.42
ATM Q13315 1/20 0.41
CYP2C8 P10632 2/20 0.40
CYP2C19 P33261 2/20 0.40
CYP2C9 P11712 1/20 0.40

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
SCHEMBL5176476 0.83 CYP1A2 (0.48) LOXL2HTR1AADRA1DADRA1AADRA1B
SCHEMBL12566028 0.82 LOXL2 (0.47) LOXL2HTR1AADRA1DADRA1AADRA1B
SCHEMBL1253989 0.81 LOXL2 (0.58) LOXL2HTR1AADRA1DADRA1AADRA1B
SCHEMBL1129765 0.81 LOXL2 (0.43) LOXL2HTR1AADRA1DADRA1AADRA1B
SCHEMBL1040581 0.79 LOXL2 (0.55) LOXL2HTR1AADRA1DADRA1AADRA1B
SCHEMBL11954971 0.78 LOXL2 (0.58) LOXL2HTR1AADRA1DADRA1AADRA1B
SCHEMBL5550374 0.78 LOXL2 (0.58) LOXL2HTR1AADRA1DADRA1AADRA1B
SCHEMBL28879838 0.78 LOXL2 (0.63) LOXL2HTR1AADRA1DADRA1AADRA1B
SCHEMBL14650799 0.78 LOXL2 (0.58) LOXL2HTR1AADRA1DADRA1AADRA1B
SCHEMBL27500715 0.77 LOXL2 (0.53) LOXL2HTR1AADRA1DADRA1AADRA1B

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-8134004-B2 Substituted N-bicyclicalkyl bicycliccarboxyamide compounds PFIZER INC. (US) 2012-03-13 US disclosed
US-8134004-B2 Substituted N-bicyclicalkyl bicycliccarboxyamide compounds PFIZER INC. (US) 2012-03-13 US disclosed
US-20090253740-A1 SUBSTITUTED N-BICYCLICALKYL BICYCLICCARBOXYAMIDE COMPOUNDS PFIZER INC 2009-10-08 US disclosed
US-20090253740-A1 SUBSTITUTED N-BICYCLICALKYL BICYCLICCARBOXYAMIDE COMPOUNDS PFIZER INC 2009-10-08 US disclosed
US-20090011977-A1 Novel Lipopeptides as Antibacterial Agents HILL JASON 2009-01-08 US disclosed
US-20080287347-A1 Novel Lipopeptides as Antibacterial Agents CUBIST PHARMACEUTICALS, INC. 2008-11-20 US disclosed
US-7408025-B2 Lipopeptides as antibacterial agents CUBIST PHARMACEUTICALS, INC. (US) 2008-08-05 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 (3 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-20090253740-A1 SUBSTITUTED N-BICYCLICALKYL BICYCLICCARBOXYAMIDE COMPOUNDS OPRL1, CNR1, TRPV1 LOXL2 2596/4885HTR1A 164/4885ADRA1D 152/4885
US-20080287347-A1 Novel Lipopeptides as Antibacterial Agents CLPTM1, NGLY1, VIP LOXL2 658/4885HTR1A 4519/4885ADRA1D 4849/4885
US-20090011977-A1 Novel Lipopeptides as Antibacterial Agents CLPTM1, NGLY1, VIP LOXL2 658/4885HTR1A 4519/4885ADRA1D 4849/4885

“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.