SCHEMBL4965737

SCHEMBL4965737

CCCN(C(=O)OCc1ccccc1)[C@H]1CCCNC1=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TMEM97 Q5BJF2 3/20 0.44
▸ GLA P06280 1/20 0.44
▸ CCR5 P51681 1/20 0.41
▸ SIGMAR1 Q99720 2/20 0.41
▸ TRPM8 Q7Z2W7 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ PSEN1 P49768 3/20 0.40
▸ PSEN2 P49810 3/20 0.40
▸ APH1B Q8WW43 3/20 0.40
▸ NCSTN Q92542 3/20 0.40
▸ APH1A Q96BI3 3/20 0.40
▸ PSENEN Q9NZ42 3/20 0.40
▸ HTR1A P08908 1/20 0.39
▸ CHRM5 P08912 1/20 0.39
▸ ADRA2A P08913 1/20 0.39
▸ ADRA2B P18089 1/20 0.39
▸ DRD1 P21728 1/20 0.39
▸ DRD4 P21917 1/20 0.39
▸ DRD5 P21918 1/20 0.39
▸ ADRA1D P25100 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
SCHEMBL4965362 0.94 TMEM97 (0.47) TMEM97GLACCR5SIGMAR1TRPM8
SCHEMBL4963751 0.87 GLA (0.46) GLASIGMAR1KMT2APSEN1PSEN2
SCHEMBL4966240 0.85 SIGMAR1 (0.53) TMEM97GLASIGMAR1PSEN1PSEN2
SCHEMBL4964479 0.81 GLA (0.45) GLASIGMAR1TRPM8PSEN1PSEN2
SCHEMBL4968349 0.80 TSHR (0.41) GLASIGMAR1KMT2APSEN1PSEN2
SCHEMBL7131705 0.78 SLC6A4 (0.53) CCR5HTR2A
Hydrochloric Acid SCHEMBL7133562 0.77 SLC6A4 (0.52) CCR5HTR2ATSHR
Hydrochloric Acid SCHEMBL7136595 0.77 SLC6A4 (0.52) CCR5HTR2ATSHR
SCHEMBL6730543 0.76 CRBN (0.50) TMEM97CCR5TRPM8KMT2A
SCHEMBL12033460 0.75 CCR5 (0.51) CCR5TRPM8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1489088-B1 NOVEL ALPHA-AMINO-N-(DIAMINOPHOSPHINYL)LACTAM DERIVATIVE NIPPON KAYAKU KK (JP) 2008-08-13 — — EP disclosed
US-7348318-B2 α-Amino-N-(diaminophosphinyl)lactam derivatives NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2008-03-25 — — US disclosed
US-20050164989-A1 Novel $g(a)-amino-n-(diaminophosphinyl) lactam derivative NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2005-07-28 — — US disclosed
EP-1489088-A1 NOVEL ALPHA-AMINO-N-(DIAMINOPHOSPHINYL)LACTAM DERIVATIVE Nippon Kayaku Kabushiki Kaisha (JP) 2004-12-22 — — EP 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-20050164989-A1 Novel $g(a)-amino-n-(diaminophosphinyl) lactam derivative DNPEP, PEPD, ANPEP TMEM97 3661/4885GLA 16/4885CCR5 928/4885

“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.

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