SCHEMBL4535076

SCHEMBL4535076

C=CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)OC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR1D P28221 2/20 0.48
▸ HTR2C P28335 2/20 0.48
▸ HTR1E P28566 2/20 0.48
▸ HTR2B P41595 2/20 0.48
▸ HTR2A P28223 1/20 0.48
▸ HTR3A P46098 1/20 0.48
▸ ITGB2 P05107 2/20 0.46
▸ ICAM1 P05362 2/20 0.46
▸ ITGAL P20701 2/20 0.46
▸ ALOX5 P09917 1/20 0.44
▸ SLC6A5 Q9Y345 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ SLC7A5 Q01650 1/20 0.43
▸ PDE5A O76074 1/20 0.42
▸ CCR2 P41597 1/20 0.41
▸ HRH3 Q9Y5N1 5/20 0.41
▸ HRH4 Q9H3N8 1/20 0.41
▸ CA1 P00915 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ CPB2 Q96IY4 1/20 0.40

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
SCHEMBL29222912 0.90 ITGB2 (0.46) HTR1DHTR2CHTR1EHTR2BHTR2A
SCHEMBL19963538 0.86 HTR1D (0.42) HTR1DHTR2CHTR1EHTR2BHTR2A
SCHEMBL24106906 0.85 ITGB2 (0.57) ITGB2ICAM1ITGALSLC6A5CYP3A4
SCHEMBL4536009 0.85 ITGB2 (0.57) ITGB2ICAM1ITGALSLC6A5CYP3A4
Hydrochloric Acid SCHEMBL28591529 0.84 ITGB2 (0.56) ITGB2ICAM1ITGALSLC6A5CYP3A4
SCHEMBL5808674 0.84 HTR1D (0.51) HTR1DHTR2CHTR1EHTR2BHTR2A
SCHEMBL7598348 0.84 ITGB2 (0.55) HTR1DHTR2CHTR1EHTR2BHTR2A
SCHEMBL24106817 0.82 ALOX5 (0.48) HTR1DHTR2CHTR1EHTR2BHTR2A
SCHEMBL28614792 0.82 ALOX5 (0.48) HTR1DHTR2CHTR1EHTR2BHTR2A
SCHEMBL13912236 0.82 HTR1D (0.49) HTR1DHTR2CHTR1EHTR2BHTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106872435-B Protein bio luminescence imaging sensor based on acid imide multiarm polymers 重庆大学 2019-07-16 — — CN disclosed
CN-106872435-A The protein bio luminescence imaging sensor of Ji Yu perylene diimide multiarm polymers 重庆大学 2017-06-20 — — CN disclosed
EP-1982716-B1 NOVEL HISTIDINE DERIVATIVE NIPPON ZOKI PHARMACEUTICAL CO (JP) 2013-04-03 — — EP disclosed
US-8236844-B2 Histidine derivatives NIPPON ZOKI PHARMACEUTICAL CO., LTD. (JP) 2012-08-07 — — US disclosed
US-8236844-B2 Histidine derivatives NIPPON ZOKI PHARMACEUTICAL CO., LTD. (JP) 2012-08-07 — — US disclosed
US-8236844-B2 Histidine derivatives NIPPON ZOKI PHARMACEUTICAL CO., LTD. (JP) 2012-08-07 — — US disclosed
US-20090149658-A1 Novel Histidine Derivatives NIPPON ZOKI PHARMACEUTICAL CO., LTD. (JP) 2009-06-11 — — US disclosed
US-20090149658-A1 Novel Histidine Derivatives NIPPON ZOKI PHARMACEUTICAL CO., LTD. (JP) 2009-06-11 — — US disclosed
US-20090149658-A1 Novel Histidine Derivatives NIPPON ZOKI PHARMACEUTICAL CO., LTD. (JP) 2009-06-11 — — US disclosed
EP-1982716-A1 NOVEL HISTIDINE DERIVATIVE Nippon Zoki Pharmaceutical Co. Ltd. (JP) 2008-10-22 — — 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-20090149658-A1 Novel Histidine Derivatives HRH4, HNMT, HRH3 HTR1D 89/4885HTR2C 125/4885HTR1E 28/4885

“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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