SCHEMBL17397496

SCHEMBL17397496

COc1ccc(CNC(=O)CCCCCC(N)=O)cc1

nearest known ligand 0.79

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.68
ALDH1A1 P00352 3/20 0.67
TRPV1 Q8NER1 4/20 0.60
CNR2 P34972 1/20 0.60
STS P08842 1/20 0.59
EPHX2 P34913 3/20 0.58
NPC1 O15118 1/20 0.57
TSHR P16473 1/20 0.57
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
PKM P14618 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55

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
SCHEMBL17397500 1.00 CNR1 (0.68) CNR1ALDH1A1TRPV1CNR2STS
SCHEMBL28820388 0.98 ALDH1A1 (0.68) CNR1ALDH1A1TRPV1CNR2STS
SCHEMBL17009241 0.95 ALDH1A1 (0.68) CNR1ALDH1A1TRPV1CNR2NPC1
SCHEMBL4901981 0.91 MEN1 (0.63) CNR1ALDH1A1TRPV1CNR2NPC1
SCHEMBL27892101 0.88 ALDH1A1 (0.71) CNR1ALDH1A1TRPV1CNR2EPHX2
SCHEMBL12215285 0.88 CNR1 (0.85) CNR1ALDH1A1CNR2STSEPHX2
SCHEMBL14060748 0.87 CNR1 (0.67) CNR1ALDH1A1TRPV1CNR2STS
SCHEMBL16762031 0.87 CNR1 (0.82) CNR1ALDH1A1CNR2STSEPHX2
SCHEMBL27909118 0.87 ALDH1A1 (0.72) CNR1ALDH1A1TRPV1CNR2NPC1
SCHEMBL933945 0.85 CNR1 (0.76) CNR1ALDH1A1TRPV1CNR2STS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230372253-A1 NOVEL LIPID-BASED SMALL MOLECULE INTEGRIN RECEPTOR-LIGAND AGONIST ADJUVANTS CARRIER COMPOSITIONS, INTEGRIN AGONIST ADJUVANT PHARMACEUTICAL COMPOSITIONS THEREFROM, AND METHODS FOR MAKING AND USING SAME 7 Hills Pharma LLC (US) 2023-11-23 US disclosed
WO-2023215314-A1 NOVEL LIPID-BASED SMALL MOLECULE INTEGRIN RECEPTOR-LIGAND AGONIST ADJUVANTS CARRIER COMPOSITIONS, INTEGRIN AGONIST ADJUVANT PHARMACEUTICAL COMPOSITIONS THEREFROM, AND METHODS FOR MAKING AND USING SAME 7 Hills Pharma LLC (US) 2023-11-09 WO disclosed
US-20210145796-A1 METHODS FOR ADMINISTERING COMPOSITIONS INCLUDING INTEGRIN AGONISTS HAVING ANTI-TUMOR ACTIVITY 7 HILLS PHARMA INC. 2021-05-20 US disclosed
US-20200054600-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS FOR SYSTEMIC TREATMENT OF SOLID TUMORS 7 HILLS INTERESTS LLC (US) 2020-02-20 US disclosed
EP-3164127-A1 COMPOSITIONS AND METHODS TO IMPROVE ADOPTIVE CELL THERAPIES 7 HILLS INTERESTS, LLC (US) 2017-05-10 EP disclosed
WO-2016003980-A1 COMPOSITIONS AND METHODS TO IMPROVE ADOPTIVE CELL THERAPIES 7 HILLS INTERESTS LLC (US) 2016-01-07 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 (3 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-20200054600-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS FOR SYSTEMIC TREATMENT OF SOLID TUMORS VCAM1, ITGB1, ITGA1 CNR1 4340/4885ALDH1A1 613/4885TRPV1 2811/4885
US-20210145796-A1 METHODS FOR ADMINISTERING COMPOSITIONS INCLUDING INTEGRIN AGONISTS HAVING ANTI-TUMOR ACTIVITY ITGB7, ITGA1, ITGAL CNR1 1194/4885ALDH1A1 760/4885TRPV1 1347/4885
US-20230372253-A1 NOVEL LIPID-BASED SMALL MOLECULE INTEGRIN RECEPTOR-LIGAND AGONIST ADJUVANTS CARRIER COMPOSITIONS, INTEGRIN AGONIST ADJUVANT PHARMACEUTICAL COMPOSITIONS THEREFROM, AND METHODS FOR MAKING AND USING SAME ITGAM, ITGA2, ADGRF1 CNR1 737/4885ALDH1A1 2762/4885TRPV1 327/4885

“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.