SCHEMBL3412153

SCHEMBL3412153

CN1CCN(Cc2ccccc2N)CC1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MC4R P32245 1/20 0.56
CHRNA7 P36544 1/20 0.55
LMNA P02545 1/20 0.53
KDM4E B2RXH2 1/20 0.53
ALDH1A1 P00352 1/20 0.53
POLB P06746 1/20 0.53
HTR6 P50406 2/20 0.51
ADRA2C P18825 1/20 0.50
SIGMAR1 Q99720 2/20 0.49
DRD4 P21917 1/20 0.49
DRD3 P35462 1/20 0.49
NR1H2 P55055 1/20 0.49
MPO P05164 1/20 0.48
KMT2A Q03164 1/20 0.47
ADORA2A P29274 1/20 0.46
ADORA1 P30542 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL14407776 0.90 MPO (0.57) KDM4EALDH1A1SIGMAR1MPOKMT2A
SCHEMBL4808302 0.86 LMNA (0.50) MC4RCHRNA7LMNAKDM4EALDH1A1
SCHEMBL309875 0.84 LMNA (0.49) MC4RCHRNA7LMNAKDM4EALDH1A1
SCHEMBL27907398 0.84 SIGMAR1 (0.67) MC4RLMNAKDM4EALDH1A1POLB
SCHEMBL24113849 0.83 KDM4E (0.48) MC4RCHRNA7LMNAKDM4EALDH1A1
SCHEMBL18658782 0.83 LMNA (0.51) MC4RCHRNA7LMNAKDM4EALDH1A1
SCHEMBL1641681 0.82 ALDH1A1 (0.58) CHRNA7LMNAKDM4EALDH1A1POLB
SCHEMBL17976019 0.82 MPO (0.50) LMNAKDM4EALDH1A1ADRA2CSIGMAR1
SCHEMBL112165 0.81 MC4R (0.56) MC4RCHRNA7LMNAKDM4EALDH1A1
SCHEMBL2912056 0.81 ALDH1A1 (0.61) CHRNA7LMNAKDM4EALDH1A1POLB

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 35 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10703746-B2 Mutant IDH1 inhibitors useful for treating cancer THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2020-07-07 US disclosed
WO-2016131789-A1 BENZOPYRROLIDONE DERIVATIVES POSSESSING ANTIVIRAL AND ANTICANCER PROPERTIES MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2016-08-25 WO disclosed
EP-3056202-A1 BENZOPYRROLIDONE DERIVATIVES POSSESSING ANTIVIRAL AND ANTICANCER PROPERTIES Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2016-08-17 EP disclosed
US-8575204-B2 Nicotinamide derivates useful as P38 inhibitors GLAXOSMITHKLINE LLC (US) 2013-11-05 US disclosed
CN-103153063-A Quinoline derivatives and MELK inhibitors containing the same ONCOTHERAPY SCIENCE INC 2013-06-12 CN disclosed
EP-2258687-B1 Nicotinamide derivates useful as P38 inhibitors GLAXOSMITHKLINE LLC (US) 2012-12-26 EP disclosed
US-8252818-B2 Nicotinamide derivatives useful as P38 inhibitors GLAXOSMITHKLINE LLC (US) 2012-08-28 US disclosed
EP-2258687-A1 Nicotinamide derivates useful as P38 inhibitors Glaxosmithkline LLC (US) 2010-12-08 EP disclosed
US-20100215652-A1 NICOTINAMIDE DERIVATES USEFUL AS P38 INHIBITORS ASTON NICOLA MARY 2010-08-26 US disclosed
US-20100215661-A1 NICOTINAMIDE DERIVATES USEFUL AS P38 INHIBITORS SMITHKLINE BEECHAM CORPORATION 2010-08-26 US disclosed
US-7125898-B2 Nicotinamide derivatives useful as p38 inhibitors. SMITHKLINE BEECHAM CORPORATION (US) 2006-10-24 US disclosed
WO-2006039356-A2 SUBSTITUTED N-ARYL-9-OXO-9H-FLUORENE-1-CARBOXAMIDES AND ANALOGS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS CYTOVIA, INC. (US) 2006-04-13 WO disclosed
US-20050176964-A1 Nicotinamide derivatives useful as p38 inhibitors GLAXOSMITHKLINE LLC 2005-08-11 US disclosed
CN-1633416-A Nicotinamide derivatives as p38 inhibitors SMITHKLINE BEECHAM CORP (US) 2005-06-29 CN disclosed
US-20050038014-A1 5'-carbamoyl-1,1' biphenyl-4-carboxamide derivatives and their use as p38 kinase inhibitors GLAXO GROUP LIMITED (GB) 2005-02-17 US disclosed
US-20050020540-A1 Biphenylcarboxylic amide derivatives as p38-kinase inhibitors GLAXO GROUP LIMITED (GB) 2005-01-27 US disclosed
EP-1474395-A1 NICOTINAMIDE DERIVATES USEFUL AS P38 INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2004-11-10 EP disclosed
EP-1436272-A1 BIPHENYLCARBOXYLIC AMIDE DERIVATIVES AS P38 KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2004-07-14 EP disclosed
WO-2003068747-A1 NICOTINAMIDE DERIVATES USEFUL AS P38 INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2003-08-21 WO disclosed
WO-2003033483-A1 BIPHENYLCARBOXYLIC AMIDE DERIVATIVES AS P38 KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2003-04-24 WO 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 (6 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-20050038014-A1 5'-carbamoyl-1,1' biphenyl-4-carboxamide derivatives and their use as p38 kinase inhibitors MAPK1, MAP4K2, MAP3K1 MC4R 2325/4885CHRNA7 1790/4885LMNA 3319/4885
US-20050020540-A1 Biphenylcarboxylic amide derivatives as p38-kinase inhibitors MAPK1, MAPKAPK2, MAP3K1 MC4R 3467/4885CHRNA7 4391/4885LMNA 2837/4885
US-20100215661-A1 NICOTINAMIDE DERIVATES USEFUL AS P38 INHIBITORS MAPK1, MAPK7, MAPK4 MC4R 1761/4885CHRNA7 2719/4885LMNA 1620/4885
US-20100215652-A1 NICOTINAMIDE DERIVATES USEFUL AS P38 INHIBITORS MAPK1, MAPK7, MAPK4 MC4R 1761/4885CHRNA7 2719/4885LMNA 1620/4885
US-20050176964-A1 Nicotinamide derivatives useful as p38 inhibitors MAPK1, MAPK7, MAPK6 MC4R 1893/4885CHRNA7 2354/4885LMNA 1451/4885
US-10703746-B2 Mutant IDH1 inhibitors useful for treating cancer IDH1, IDH3B, IDH3A MC4R 4518/4885CHRNA7 4074/4885LMNA 3527/4885

“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.