SCHEMBL2337706

SCHEMBL2337706

C#CCCN1CCN(C(=NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)CC1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.35
HRH2 P25021 2/20 0.33
HRH1 P35367 2/20 0.33
DRD2 P14416 8/20 0.32
CACNA1H O95180 1/20 0.32
ACKR3 P25106 1/20 0.31
DRD3 P35462 1/20 0.31
KCNA3 P22001 1/20 0.30
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
TSHR P16473 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL6857618 1.00 SIGMAR1 (0.35) SIGMAR1HRH2HRH1DRD2CACNA1H
SCHEMBL2337700 1.00 SIGMAR1 (0.35) SIGMAR1HRH2HRH1DRD2CACNA1H
SCHEMBL2361984 0.88 CHRM2 (0.33) SIGMAR1HRH2HRH1MEN1ALDH1A1
SCHEMBL2361985 0.88 CHRM2 (0.33) SIGMAR1HRH2HRH1MEN1ALDH1A1
SCHEMBL6857872 0.88 CHRM2 (0.33) SIGMAR1HRH2HRH1MEN1ALDH1A1
SCHEMBL19658018 0.81 CYP1A2 (0.34) SIGMAR1DRD2MEN1KMT2A
SCHEMBL22986774 0.80 CTSK (0.35) KCNA3MEN1ALDH1A1TSHRKMT2A
SCHEMBL15295730 0.80 CTSK (0.35) KCNA3MEN1ALDH1A1TSHRKMT2A
SCHEMBL7040760 0.78 CTSK (0.38) MEN1KMT2A
SCHEMBL7040763 0.78 CTSK (0.38) MEN1KMT2A

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
EP-2534138-B1 1,2,3-TRIAZOLE-BASED PEPTIDOMIMETIC INTEGRIN INHIBITORS FOR THE DIAGNOSIS AND THERAPY OF TUMORS UNIVERSITA' DEGLI STUDI DI FIRENZE (IT) 2017-01-25 EP disclosed
US-8809338-B2 1,2,3-triazole-based peptidomimetic integrin inhibitors for the diagnosis and therapy of tumors UNIVERSITA' DEGLI STUDI DI FIRENZE (IT) 2014-08-19 US disclosed
US-20130040964-A1 1,2,3-TRIAZOLE-BASED PEPTIDOMIMETIC INTEGRIN INHIBITORS FOR THE DIAGNOSIS AND THERAPY OF TUMORS UNIVERSITA' DEGLI STUDI DI FIRENZE (IT) 2013-02-14 US disclosed
EP-2534138-A1 1,2,3-TRIAZOLE-BASED PEPTIDOMIMETIC INTEGRIN INHIBITORS FOR THE DIAGNOSIS AND THERAPY OF TUMORS Universita' Degli Studi di Firenze (IT) 2012-12-19 EP disclosed
WO-2011098603-A1 1,2,3-TRIAZOLE-BASED PEPTIDOMIMETIC INTEGRIN INHIBITORS FOR THE DIAGNOSIS AND THERAPY OF TUMORS UNIVERSITA' DEGLI STUDI DI FIRENZE (IT) 2011-08-18 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-20130040964-A1 1,2,3-TRIAZOLE-BASED PEPTIDOMIMETIC INTEGRIN INHIBITORS FOR THE DIAGNOSIS AND THERAPY OF TUMORS ICAM1, ITGB3, VCAM1 SIGMAR1 3017/4885HRH2 1236/4885HRH1 1024/4885

“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.