SCHEMBL22322157

SCHEMBL22322157

C=CCCCOC(=O)CN

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
LMNA P02545 2/20 0.41
TSHR P16473 2/20 0.39
CYP3A4 P08684 2/20 0.39
MAPT P10636 3/20 0.38
ABCC4 O15439 1/20 0.38
LPAR3 Q9UBY5 2/20 0.37
LPAR2 Q9HBW0 1/20 0.37
HTR2C P28335 1/20 0.37
HPGD P15428 1/20 0.35
HTT P42858 1/20 0.35
USP2 O75604 1/20 0.33
RECQL P46063 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
ATM Q13315 1/20 0.33
THRB P10828 1/20 0.33
CNR1 P21554 1/20 0.33

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
SCHEMBL27845842 0.92 ALDH1A1 (0.47) ALDH1A1L3MBTL1LMNATSHRCYP3A4
SCHEMBL5545214 0.87
SCHEMBL9911951 0.83 HTR2C (0.58) ALDH1A1L3MBTL1LMNATSHRCYP3A4
SCHEMBL23797438 0.83 ALDH1A1 (0.48) ALDH1A1L3MBTL1LMNATSHRCYP3A4
SCHEMBL9358833 0.83 ALDH1A1 (0.48) ALDH1A1L3MBTL1LMNATSHRCYP3A4
Hydrochloric Acid SCHEMBL4155299 0.82 HTR2C (0.57) ALDH1A1L3MBTL1LMNATSHRCYP3A4
SCHEMBL2135535 0.81 ALDH1A1 (0.47) ALDH1A1L3MBTL1LMNATSHRCYP3A4
SCHEMBL3445881 0.80 ALDH1A1 (0.47) ALDH1A1L3MBTL1LMNATSHRCYP3A4
SCHEMBL6682800 0.79 HTR2C (0.50) ALDH1A1TSHRCYP3A4HTR2CHTT
SCHEMBL5496994 0.79 HTR2C (0.45) ALDH1A1LMNATSHRCYP3A4MAPT

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
CN-117769562-A High affinity supramolecular polymers for binding triggered antibody precipitation and purification 约翰霍普金斯大学 2024-03-26 CN disclosed
US-20220168383-A1 NEUROTENSINERGIC AGONISTS AND METHODS OF USING SAME PREVENTING OR TREATING PAIN SOCPRA SCIENCES SANTÉ ET HUMAINES S.E.C. (CA) 2022-06-02 US disclosed
EP-3921331-A1 NEUROTENSINERGIC AGONISTS AND METHODS OF USING SAME PREVENTING OR TREATING PAIN Socpra Sciences Santé Et Humaines S.E.C. (CA) 2021-12-15 EP disclosed
CN-113677692-A Neurotensin agonists and methods of preventing or treating pain using the same 健康与人类科学公司 2021-11-19 CN disclosed
WO-2020160685-A1 NEUROTENSINERGIC AGONISTS AND METHODS OF USING SAME PREVENTING OR TREATING PAIN SOCPRA Sciences Sante et Humaines S.E.C. (CA) 2020-08-13 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-20220168383-A1 NEUROTENSINERGIC AGONISTS AND METHODS OF USING SAME PREVENTING OR TREATING PAIN VIP, NTSR2, VIPR2 ALDH1A1 1872/4885L3MBTL1 2448/4885LMNA 2483/4885

“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.