SCHEMBL22322158

SCHEMBL22322158

C=CCCC(=O)N(CC=C)CC(=O)O

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.53
ABCC4 O15439 1/20 0.39
MAPT P10636 1/20 0.39
PRSS1 P07477 3/20 0.38
TMPRSS15 P98073 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.34
LMNA P02545 1/20 0.32
HPGD P15428 1/20 0.32
ALOX12 P18054 1/20 0.32
CCR6 P51684 1/20 0.32
POLB P06746 1/20 0.32
F2 P00734 1/20 0.30
KLK1 P06870 1/20 0.30
RAB9A P51151 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
SCHEMBL10587120 0.86 ALDH1A1 (0.71) ALDH1A1ABCC4MAPTSMN1; SMN2LMNA
SCHEMBL16289079 0.80 ALDH1A1 (0.42) ALDH1A1ABCC4MAPTLMNAHPGD
SCHEMBL12073359 0.78 ALDH1A1 (0.55) ALDH1A1ABCC4MAPTSMN1; SMN2LMNA
SCHEMBL7263229 0.78 ALDH1A1 (0.50) ALDH1A1ABCC4MAPTLMNA
SCHEMBL20467671 0.78 MMP2 (0.40) ALDH1A1ABCC4MAPTLMNAPOLB
SCHEMBL253365 0.77 ALDH1A1 (0.46) ALDH1A1ABCC4MAPTPRSS1TMPRSS15
SCHEMBL7262524 0.77 MAPT (0.59) ALDH1A1ABCC4MAPTLMNAPOLB
SCHEMBL21244095 0.76 GRIK1 (0.47) ALDH1A1PRSS1TMPRSS15
SCHEMBL21837507 0.76 EPHX2 (0.41) MAPTLMNAPOLB
SCHEMBL7262031 0.76 MAPT (0.62) ALDH1A1ABCC4MAPTLMNAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 1872/4885ABCC4 3753/4885MAPT 1971/4885

“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.