SCHEMBL2361985

SCHEMBL2361985

C#CCN1CCN(C(=NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)CC1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
SIGMAR1 Q99720 3/20 0.32
USP2 O75604 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
BCHE P06276 3/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
GLA P06280 1/20 0.32
MAOB P27338 2/20 0.31
ALDH1A1 P00352 1/20 0.31
TSHR P16473 1/20 0.31
CTSD P07339 1/20 0.31
CTSL P07711 1/20 0.31
CTSB P07858 1/20 0.31
CTSS P25774 1/20 0.31
MMP2 P08253 1/20 0.30
MMP13 P45452 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
SCHEMBL2361984 1.00 CHRM2 (0.33) CHRM2CHRM4CHRM1CHRM3SIGMAR1
SCHEMBL6857872 1.00 CHRM2 (0.33) CHRM2CHRM4CHRM1CHRM3SIGMAR1
SCHEMBL2337706 0.88 SIGMAR1 (0.35) SIGMAR1MEN1KMT2AALDH1A1TSHR
SCHEMBL6857618 0.88 SIGMAR1 (0.35) SIGMAR1MEN1KMT2AALDH1A1TSHR
SCHEMBL2337700 0.88 SIGMAR1 (0.35) SIGMAR1MEN1KMT2AALDH1A1TSHR
SCHEMBL19658018 0.80 CYP1A2 (0.34) SIGMAR1USP2SMN1; SMN2MEN1KMT2A
SCHEMBL7040760 0.80 CTSK (0.38) USP2SMN1; SMN2MEN1KMT2ACTSL
SCHEMBL7040763 0.80 CTSK (0.38) USP2SMN1; SMN2MEN1KMT2ACTSL
SCHEMBL22946500 0.80 CTSK (0.37) MEN1KMT2AALDH1A1TSHRCTSD
SCHEMBL8191256 0.79 HPGD (0.39) MEN1KMT2ACTSLCTSB

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 CHRM2 3091/4885CHRM4 3503/4885CHRM1 1387/4885

“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.