SCHEMBL6320787

SCHEMBL6320787

NC[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1

nearest known ligand 0.74

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTRB1 P17538 2/20 0.74
TACR1 P25103 2/20 0.54
CTSL P07711 2/20 0.53
CTSK P43235 2/20 0.53
CTSB P07858 1/20 0.53
CTSS P25774 1/20 0.53
TRPM8 Q7Z2W7 1/20 0.52
ALDH1A1 P00352 1/20 0.52
ALOX15 P16050 1/20 0.52
ITGB3 P05106 4/20 0.52
ITGA2B P08514 4/20 0.52
CYP3A4 P08684 1/20 0.52
SYK P43405 1/20 0.51
F2 P00734 1/20 0.51
PLAU P00749 1/20 0.51
PLAT P00750 1/20 0.51

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
SCHEMBL6318717 1.00 CTRB1 (0.74) CTRB1TACR1CTSLCTSKCTSB
SCHEMBL6318726 1.00 CTRB1 (0.74) CTRB1TACR1CTSLCTSKCTSB
SCHEMBL29641210 0.88 CTRB1 (0.61) CTRB1TACR1CTSLCTSKCTSB
SCHEMBL20783325 0.88 CTRB1 (0.61) CTRB1TACR1CTSLCTSKCTSB
SCHEMBL20298234 0.88 CTRB1 (0.61) CTRB1TACR1CTSLCTSKCTSB
SCHEMBL27738852 0.87 CYP3A4 (0.71) CTRB1CTSLCTSBALDH1A1CYP3A4
Hydrochloric Acid SCHEMBL28674226 0.87 CTRB1 (0.59) CTRB1TACR1CTSLCTSKCTSB
SCHEMBL15288192 0.87 SYK (0.63) CTRB1CTSLCTSKCTSBCTSS
SCHEMBL10198830 0.87 CTRB1 (0.59) CTRB1TACR1CTSLCTSKCTSB
SCHEMBL10250740 0.87 SYK (0.63) CTRB1CTSLCTSKCTSBCTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050250765-A1 Diazepinones as antiviral agents CHO HIDETSURA 2005-11-10 US disclosed
US-6852731-B2 Antiviral compounds PFIZER (US) 2005-02-08 US disclosed
US-20040116410-A1 Diazepinones as antiviral agents CHO HIDETSURA (JP) 2004-06-17 US disclosed
WO-2002014324-A2 DIAZEPINONES AS ANTIVIRAL AGENTS WARNER-LAMBERT COMPANY (US) 2002-02-21 WO disclosed
EP-0680488-B1 2,6-DIAMINOPURINE DERIVATIVES GLAXO GROUP LTD (GB) 1998-04-08 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-20050250765-A1 Diazepinones as antiviral agents ZC3HAV1, ECI1, ZC3HAV1L CTRB1 2095/4885TACR1 2756/4885CTSL 4145/4885

“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.