SCHEMBL4965362

SCHEMBL4965362

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TMEM97 Q5BJF2 2/20 0.47
▸ GLA P06280 1/20 0.42
▸ CCR5 P51681 1/20 0.42
▸ TRPM8 Q7Z2W7 1/20 0.42
▸ SIGMAR1 Q99720 1/20 0.40
▸ CHRM2 P08172 2/20 0.39
▸ CHRM1 P11229 2/20 0.39
▸ CHRM3 P20309 2/20 0.39
▸ CTSL P07711 1/20 0.39
▸ CTSB P07858 1/20 0.39
▸ PSEN1 P49768 1/20 0.39
▸ PSEN2 P49810 1/20 0.39
▸ APH1B Q8WW43 1/20 0.39
▸ NCSTN Q92542 1/20 0.39
▸ APH1A Q96BI3 1/20 0.39
▸ PSENEN Q9NZ42 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ TSHR P16473 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
SCHEMBL4965737 0.94 TMEM97 (0.44) TMEM97GLACCR5TRPM8SIGMAR1
SCHEMBL4963751 0.85 GLA (0.46) GLASIGMAR1CHRM2CHRM1CHRM3
SCHEMBL4966240 0.83 SIGMAR1 (0.53) TMEM97GLASIGMAR1PSEN1PSEN2
SCHEMBL6730543 0.83 CRBN (0.50) TMEM97CCR5TRPM8CHRM2CHRM1
SCHEMBL4964479 0.79 GLA (0.45) GLATRPM8SIGMAR1CTSLCTSB
SCHEMBL4968349 0.78 TSHR (0.41) GLASIGMAR1PSEN1PSEN2APH1B
SCHEMBL4964958 0.76 TMEM97 (0.47) TMEM97CCR5TRPM8SIGMAR1CHRM2
SCHEMBL12494664 0.74 CHRM5 (0.41) CHRM2CHRM1CHRM3PSEN1PSEN2
SCHEMBL30306767 0.73 SLC6A2 (0.52) CCR5CHRM3
SCHEMBL7273204 0.73 HTR2C (0.43) CCR5TRPM8SIGMAR1CHRM2CHRM1

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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