SCHEMBL3440424

SCHEMBL3440424

CN(C)C1CCN(c2cccc(N)c2)CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2C P18825 1/20 0.57
MAPT P10636 3/20 0.43
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
ALOX15 P16050 1/20 0.43
CASP1 P29466 1/20 0.43
CASP7 P55210 1/20 0.43
KMT2A Q03164 1/20 0.43
NSD2 O96028 1/20 0.42
SETD2 Q9BYW2 1/20 0.42
PTPN11 Q06124 1/20 0.41
LMNA P02545 1/20 0.41
ALOX12 P18054 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
DDB1 Q16531 1/20 0.40
CRBN Q96SW2 1/20 0.40
TMEM97 Q5BJF2 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
NPY1R P25929 1/20 0.39

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
SCHEMBL12027635 0.90 ADRA2C (0.50) ADRA2CMAPTALDH1A1KDM4EMEN1
SCHEMBL16675693 0.90 ADRA2C (0.50) ADRA2CMAPTALDH1A1KDM4EMEN1
SCHEMBL10127797 0.84 ADRA2C (0.64) ADRA2CMAPTALDH1A1KDM4EMEN1
SCHEMBL17754015 0.83 ADRB1 (0.56) MAPTALDH1A1NSD2SETD2NPY5R
SCHEMBL2174889 0.82 NPY5R (0.53) ALDH1A1NSD2SETD2TMEM97SIGMAR1
SCHEMBL22837867 0.82 NPY5R (0.54) NSD2SETD2NPY5REED
SCHEMBL22837816 0.82 HTR3E (0.55) MAPTALDH1A1LMNAALOX12SMN1; SMN2
SCHEMBL1409679 0.81 MAPT (0.53) ADRA2CMAPTALDH1A1KDM4EMEN1
SCHEMBL14578437 0.81 ADRA2C (0.62) ADRA2CMAPTALDH1A1KDM4EMEN1
SCHEMBL21447979 0.80 L3MBTL3 (0.52) ALDH1A1MEN1ALOX15KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3514153-B1 PYRIMIDINE COMPOUND AND PHARMACEUTICAL USE THEREOF HANMI PHARM IND CO LTD (KR) 2021-07-07 EP disclosed
EP-3789386-A1 PYRIMIDINE COMPOUND AND PHARMACEUTICAL USE THEREOF Hanmi Pharm. Co., Ltd. (KR) 2021-03-10 EP disclosed
EP-3514153-A1 PYRIMIDINE COMPOUND AND PHARMACEUTICAL USE THEREOF Hanmi Pharm. Co., Ltd. (KR) 2019-07-24 EP disclosed
US-20190031643-A1 PYRIMIDINE COMPOUND AND PHARMACEUTICAL USE THEREOF HANMI PHARM. CO., LTD. (KR) 2019-01-31 US disclosed
EP-2188251-B1 ARYLSULFONAMIDES WITH ANALGESIC ACTIVITY BOEHRINGER INGELHEIM INT (DE) 2015-04-29 EP disclosed
US-8450306-B2 Bradykinin B1-receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-05-28 US disclosed
US-8450306-B2 Bradykinin B1-receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-05-28 US disclosed
US-8252785-B2 Aryl sulfonamides as bradykinin-B1-receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-08-28 US disclosed
US-8252785-B2 Aryl sulfonamides as bradykinin-B1-receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-08-28 US disclosed
EP-2402329-A1 Analgetic phenylsulphonamides Boehringer Ingelheim International GmbH (DE) 2012-01-04 EP disclosed
US-20110021488-A1 New Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-01-27 US disclosed
US-20110021488-A1 New Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-01-27 US disclosed
US-7858618-B2 Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-12-28 US disclosed
US-7858618-B2 Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-12-28 US disclosed
US-20090137545-A1 Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-05-28 US disclosed
US-20090137545-A1 Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-05-28 US disclosed
WO-2009021758-A1 ARYLSULFONAMIDES HAVING AN ANALGESIC EFFECT BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-02-19 WO disclosed
WO-2009021946-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-02-19 WO disclosed
EP-2025675-A1 Arylsulfonamides with analgetic activity Boehringer Ingelheim International GmbH (DE) 2009-02-18 EP disclosed
WO-2008022945-A1 ARYL SULFONAMIDES WITH AN ANALGESIC ACTION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-02-28 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 (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-20090137545-A1 Compounds ADORA2B, ABCB11, CYP11B1 ADRA2C 105/4885MAPT 3687/4885ALDH1A1 279/4885
US-20190031643-A1 PYRIMIDINE COMPOUND AND PHARMACEUTICAL USE THEREOF TYMP, DPYD, TYMS ADRA2C 3511/4885MAPT 3081/4885ALDH1A1 389/4885
US-20110021488-A1 New Compounds ABCG2, ADORA2B, ADORA3 ADRA2C 64/4885MAPT 3546/4885ALDH1A1 428/4885

“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.