SCHEMBL9633964

SCHEMBL9633964

O=C(O)CCCN1CCN(C(=O)OCc2ccccc2)CC1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
NPSR1 Q6W5P4 1/20 0.57
SMN1; SMN2 Q16637 3/20 0.56
NPC1 O15118 2/20 0.56
RAB9A P51151 2/20 0.56
CA1 P00915 3/20 0.55
CA2 P00918 3/20 0.55
CA7 P43166 3/20 0.55
CA9 Q16790 2/20 0.55
CYP2C19 P33261 1/20 0.53
TEAD3 Q99594 1/20 0.52
HTR2A P28223 2/20 0.52
OPRM1 P35372 2/20 0.52
HRH1 P35367 2/20 0.52
HTR1A P08908 1/20 0.52
DRD4 P21917 1/20 0.52
ENPP2 Q13822 1/20 0.52
SIGMAR1 Q99720 5/20 0.51
ADORA3 P0DMS8 1/20 0.51

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
SCHEMBL29234163 0.96 MEN1 (0.56) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL16010716 0.95 MEN1 (0.54) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL21527984 0.88 MEN1 (0.53) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL5154279 0.88 MEN1 (0.58) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL29234166 0.87 HTT (0.56) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL22788750 0.86 MEN1 (0.57) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL29300899 0.86 MEN1 (0.57) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL30239461 0.86 MEN1 (0.57) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL4904424 0.86 SIGMAR1 (0.57) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL5536999 0.86 MEN1 (0.57) MEN1KMT2ANPSR1SMN1; SMN2NPC1

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
US-20250099423-A1 PIPERAZINE-BASED AGONISTS OF LFA-1 AND VLA-4 TEXAS HEART INSTITUTE (US) 2025-03-27 US disclosed
CN-117980302-A Piperazine-based agonists of LFA-1 and VLA-4 德克萨斯心脏研究所 2024-05-03 CN disclosed
EP-0166509-B1 PHENOL DERIVATIVES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-05-13 EP disclosed
US-4833135-A Antioestrogenic phenol derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1989-05-23 US disclosed
EP-0166509-A1 Phenol derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1986-01-02 EP 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-20250099423-A1 PIPERAZINE-BASED AGONISTS OF LFA-1 AND VLA-4 ITGA4, VCAM1, ITGB4 MEN1 4476/4885KMT2A 974/4885NPSR1 263/4885

“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.