SCHEMBL3703489

SCHEMBL3703489

O=C(C1CCCC1)N1CCCC1

nearest known ligand 0.81

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.81
HPGD P15428 3/20 0.81
TSHR P16473 1/20 0.81
LMNA P02545 1/20 0.64
SMN1; SMN2 Q16637 2/20 0.60
HSD11B1 P28845 5/20 0.59
HTT P42858 1/20 0.55
CHRNB2 P17787 2/20 0.54
CHRNA3 P32297 2/20 0.54
CHRNA4 P43681 2/20 0.54
CHRNB3 Q05901 2/20 0.54
CHRNA6 Q15825 2/20 0.54
HSD11B2 P80365 1/20 0.54
GRM5 P41594 1/20 0.52
KMT2A Q03164 1/20 0.50

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
SCHEMBL60471 0.97 ALDH1A1 (0.86) ALDH1A1HPGDTSHRLMNASMN1; SMN2
SCHEMBL1826063 0.97 ALDH1A1 (0.86) ALDH1A1HPGDTSHRLMNASMN1; SMN2
SCHEMBL4057588 0.97 ALDH1A1 (0.86) ALDH1A1HPGDTSHRLMNASMN1; SMN2
SCHEMBL2386976 0.97 ALDH1A1 (0.86) ALDH1A1HPGDTSHRLMNASMN1; SMN2
SCHEMBL3695372 0.97 ALDH1A1 (0.86) ALDH1A1HPGDTSHRLMNASMN1; SMN2
SCHEMBL1117898 0.95 HPGD (0.81) ALDH1A1HPGDTSHRLMNASMN1; SMN2
SCHEMBL3703105 0.95 ALDH1A1 (0.81) ALDH1A1HPGDTSHRLMNASMN1; SMN2
SCHEMBL12714626 0.92 HPGD (0.86) ALDH1A1HPGDTSHRLMNASMN1; SMN2
SCHEMBL3706273 0.92 HPGD (0.86) ALDH1A1HPGDTSHRLMNASMN1; SMN2
SCHEMBL1309352 0.92 ALDH1A1 (0.86) ALDH1A1HPGDTSHRLMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3722298-B1 PYRROLO(PYRAZOLO)PYRIMIDINE DERIVATIVE AS LRRK2 INHIBITOR OSCOTEC INC (KR) 2023-08-02 EP disclosed
CN-114315826-A Pyridopyrimidine compound and application thereof 西安交通大学 2022-04-12 CN disclosed
EP-3722298-A1 PYRROLO(PYRAZOLO)PYRIMIDINE DERIVATIVE AS LRRK2 INHIBITOR Oscotec Inc. (KR) 2020-10-14 EP disclosed
WO-2019112269-A1 PYRROLO(PYRAZOLO)PYRIMIDINE DERIVATIVE AS LRRK2 INHIBITOR 주식회사 오스코텍 2019-06-13 WO disclosed
US-9302989-B2 NAMPT and rock inhibitors ABBVIE INC. (US) 2016-04-05 US disclosed
US-8183252-B2 Heterocyclic aspartyl protease inhibitors SCHERING CORPORATION (US) 2012-05-22 US disclosed
US-20120122842-A1 NAMPT AND ROCK INHIBITORS ABBOTT LABORATORIES (US) 2012-05-17 US disclosed
US-8178513-B2 Heterocyclic aspartyl protease inhibitors SCHERING CORPORATION (US) 2012-05-15 US disclosed
US-7973067-B2 Heterocyclic aspartyl protease inhibitors SCHERING CORPORATION (US) 2011-07-05 US disclosed
US-20100292203-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS SCHERING CORPORATION 2010-11-18 US disclosed
US-20090306047-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS SCHERING CORPORATION 2009-12-10 US disclosed
US-20090258868-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS SCHERING CORPORATION 2009-10-15 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 (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-20100292203-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS CHRM1, CHRM2, PRSS1 ALDH1A1 4505/4885HPGD 2404/4885TSHR 1151/4885
US-20120122842-A1 NAMPT AND ROCK INHIBITORS NAMPT, NNMT, NME2 ALDH1A1 2689/4885HPGD 132/4885TSHR 2661/4885
US-20090306047-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS PRSS1, BCHE, CTSZ ALDH1A1 4628/4885HPGD 2083/4885TSHR 1633/4885
US-20090258868-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS CHRM1, CHRM2, PRSS1 ALDH1A1 4505/4885HPGD 2404/4885TSHR 1151/4885

“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.