SCHEMBL3596202

SCHEMBL3596202

[CH2]CCc1ccc(N2CCN(C)CC2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHKA P35790 2/20 0.56
ALDH1A1 P00352 3/20 0.53
MAPT P10636 3/20 0.53
GAA P10253 3/20 0.53
KDM4E B2RXH2 2/20 0.53
PTK2B Q14289 2/20 0.53
ADRA2C P18825 1/20 0.53
GFER P55789 1/20 0.53
KMT2A Q03164 1/20 0.53
ESR2 Q92731 1/20 0.53
NCF1 P14598 1/20 0.53
SIRT6 Q8N6T7 1/20 0.46
NPSR1 Q6W5P4 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
AGXT P21549 1/20 0.44
HTR1A P08908 1/20 0.43
DRD2 P14416 1/20 0.43
HTR3A P46098 1/20 0.43
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42

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
SCHEMBL3586443 0.85 CHKA (0.59) CHKAALDH1A1MAPTGAAKDM4E
SCHEMBL8353735 0.83 CHKA (0.57) CHKAALDH1A1MAPTGAAKDM4E
SCHEMBL3973504 0.81 MAPT (0.63) CHKAALDH1A1MAPTGAAKDM4E
SCHEMBL18774112 0.81 CHKA (0.56) CHKAALDH1A1MAPTGAAKDM4E
SCHEMBL15392533 0.81 CHKA (0.65) CHKAALDH1A1MAPTGAAKDM4E
Hydrochloric Acid SCHEMBL21382095 0.80 MAPT (0.61) CHKAALDH1A1MAPTGAAKDM4E
SCHEMBL7954719 0.79 SLC13A5 (0.49) ALDH1A1MAPTGAAKDM4EKMT2A
SCHEMBL20340801 0.79 CHKA (0.53) CHKAALDH1A1MAPTGAAKDM4E
SCHEMBL178275 0.79 ALDH1A1 (0.63) CHKAALDH1A1MAPTGAAKDM4E
SCHEMBL4576889 0.77 CHKA (0.51) CHKAALDH1A1MAPTGAAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1121118-A4 FORMAMIDES AS THERAPEUTIC AGENTS GLAXO GROUP LTD (GB) 2002-09-11 EP claimed
EP-1121118-A1 FORMAMIDES AS THERAPEUTIC AGENTS GLAXO GROUP LIMITED (GB) 2001-08-08 EP claimed
US-6172064-B1 METALLOPROTEASE INHIBITOR; ANTIARTHRITIC AGENTS, ANTIDIABETIC AGENTS; ANTITUMOR AGENTS GLAXO WELLCOME INC. 2001-01-09 US claimed
WO-2000012083-A1 FORMAMIDES AS THERAPEUTIC AGENTS GLAXO GROUP LIMITED (GB) 2000-03-09 WO claimed
US-20100029636-A1 Lck inhibitors NOVARTIS AG (CH) 2010-02-04 US disclosed
EP-1121118-A4 FORMAMIDES AS THERAPEUTIC AGENTS GLAXO GROUP LTD (GB) 2002-09-11 EP disclosed
EP-1121118-A1 FORMAMIDES AS THERAPEUTIC AGENTS GLAXO GROUP LIMITED (GB) 2001-08-08 EP disclosed
US-6172064-B1 METALLOPROTEASE INHIBITOR; ANTIARTHRITIC AGENTS, ANTIDIABETIC AGENTS; ANTITUMOR AGENTS GLAXO WELLCOME INC. 2001-01-09 US disclosed
WO-2000012083-A1 FORMAMIDES AS THERAPEUTIC AGENTS GLAXO GROUP LIMITED (GB) 2000-03-09 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 (1 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-20100029636-A1 Lck inhibitors LCK, ZAP70, FYN CHKA 584/4885ALDH1A1 4236/4885MAPT 2260/4885

“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.