SCHEMBL4841885

SCHEMBL4841885

c1cnn(CCN2CCNCC2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.41
DAO P14920 1/20 0.41
SIGMAR1 Q99720 3/20 0.39
BRD4 O60885 1/20 0.38
CREBBP Q92793 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
ALDH1A1 P00352 2/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
POLB P06746 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
OPRD1 P41143 2/20 0.37
LCK P06239 1/20 0.36
KDR P35968 1/20 0.36
JAK3 P52333 1/20 0.36
TNK2 Q07912 1/20 0.36
CXCR4 P61073 2/20 0.36
SLC6A4 P31645 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
SCHEMBL13368 0.82 DAO (0.40) DAOL3MBTL1ALDH1A1CYP3A4OPRD1
SCHEMBL6204930 0.81 SIGMAR1 (0.35) KDM1ADAOSIGMAR1L3MBTL1ALDH1A1
SCHEMBL28809918 0.81 DAO (0.39) DAOSIGMAR1L3MBTL1ALDH1A1CYP3A4
SCHEMBL12844 0.81 DAO (0.39) DAOSIGMAR1L3MBTL1ALDH1A1CYP3A4
SCHEMBL1456338 0.79 HTT (0.41) KDM1ADAOSIGMAR1BRD4CREBBP
SCHEMBL30036378 0.79 OPRD1 (0.40) KDM1ADAOSIGMAR1BRD4CREBBP
SCHEMBL5465305 0.78 KDM1A (0.42) KDM1ADAOL3MBTL1ALDH1A1TSHR
SCHEMBL5713341 0.77 DAO (0.50) DAOBRD4TSHRPOLBGAA
SCHEMBL1969312 0.76 AURKA (0.33) SIGMAR1BRD4CREBBPL3MBTL1
SCHEMBL3381592 0.76 SOD3 (0.47) SIGMAR1CXCR4KDM4EGAA

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240246946-A1 MODULATORS OF TREX1 CONSTELLATION PHARMACEUTICALS, INC. 2024-07-25 US disclosed
WO-2017108723-A2 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2017-06-29 WO disclosed
US-7351822-B2 Serine protease inhibitors ELI LILLY AND COMPANY (US) 2008-04-01 US disclosed
US-6946467-B2 Serine protease inhibitors ELI LILLY AND COMPANY (US) 2005-09-20 US disclosed
US-6936611-B2 Serine protease inhibitors ELI LILLY AND COMPANY (US) 2005-08-30 US disclosed
CN-1213040-C Serine protease inhibitors LILLY CO ELI (US) 2005-08-03 CN disclosed
EP-1510515-A1 Phenylglycine derivatives as serine protease inhibitors ELI LILLY AND COMPANY (US) 2005-03-02 EP disclosed
US-20040176363-A1 Serine protease inhibitors LIEBESCHUETZ JOHN WALTER (GB) 2004-09-09 US disclosed
EP-1289972-B1 SERINE PROTEASE INHIBITORS LILLY CO ELI (US) 2004-09-08 EP disclosed
US-20040142963-A1 Serine protease inhibitors LIEBESCHUETZ JOHN WALTER (GB) 2004-07-22 US disclosed
US-20030055246-A1 Serine protease inhibitors PROTHERICS MOLECULAR DESIGN LIMITED (GB) 2003-03-20 US disclosed
EP-1289972-A1 SERINE PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2003-03-12 EP disclosed
WO-2001096323-A1 SERINE PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2001-12-20 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 (4 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-20030055246-A1 Serine protease inhibitors CTRL, CPN1, LOXL1 KDM1A 735/4885DAO 88/4885SIGMAR1 639/4885
US-20240246946-A1 MODULATORS OF TREX1 CFTR, SLC10A1, CYP27A1 KDM1A 3650/4885DAO 4604/4885SIGMAR1 2528/4885
US-20040142963-A1 Serine protease inhibitors SERPINE1, PRSS1, SERPINB1 KDM1A 1603/4885DAO 483/4885SIGMAR1 3111/4885
US-20040176363-A1 Serine protease inhibitors SERPINE1, PRSS1, SERPINB1 KDM1A 1603/4885DAO 483/4885SIGMAR1 3111/4885

“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.