SCHEMBL4557182

SCHEMBL4557182

c1ccc2cc3c(CN4CCNCC4)cccc3cc2c1

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.54
HTR6 P50406 6/20 0.51
SIGMAR1 Q99720 1/20 0.49
CXCR4 P61073 4/20 0.47
ACHE P22303 1/20 0.47
SLC6A4 P31645 1/20 0.47
GPR84 Q9NQS5 1/20 0.43

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
SCHEMBL29567963 0.85 ACHE (0.62) LMNAHTR6SIGMAR1ACHESLC6A4
SCHEMBL1020430 0.85 ACHE (0.62) LMNAHTR6SIGMAR1ACHESLC6A4
SCHEMBL16689990 0.85 ACHE (0.62) LMNAHTR6SIGMAR1ACHESLC6A4
SCHEMBL16830451 0.84 ACHE (0.60) LMNAHTR6SIGMAR1CXCR4ACHE
Bromide SCHEMBL9067059 0.84 ACHE (0.60) LMNAHTR6SIGMAR1ACHESLC6A4
Hydrochloric Acid SCHEMBL23877652 0.81 L3MBTL1 (0.55) LMNAHTR6ACHESLC6A4
SCHEMBL11585715 0.81 LMNA (0.54) LMNAHTR6SIGMAR1CXCR4ACHE
SCHEMBL11586414 0.81 OPRM1 (0.50) LMNAHTR6SIGMAR1CXCR4ACHE
SCHEMBL5919487 0.79 SIGMAR1 (0.53) LMNAHTR6SIGMAR1SLC6A4
SCHEMBL16855797 0.78 FAAH (0.52) LMNAHTR6SIGMAR1CXCR4SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1840145-B1 ACETYLENE CARBAMIDE DERIVATIVES-POLYUREA POLYMERS AND MICROCAPSULES AND FORMULATIONS THEREOF FOR CONTROLLED RELEASE FMC CORP (US) 2017-11-08 EP disclosed
US-8828415-B2 Microcapsules with acetylene carbamide-polyurea polymers and formulations thereof for controlled release FMC CORPORATION 2014-09-09 US disclosed
US-20120245027-A1 MICROCAPSULES WITH ACETYLENE CARBAMIDE-POLYUREA POLYMERS AND FORMULATIONS THEREOF FOR CONTROLLED RELEASE FMC CORPORATION 2012-09-27 US disclosed
EP-2487192-A2 Microencapsulation of clomazone by means of a refined process and specific microcapsules produced thereof Gat Microencapsulation, AG (AT) 2012-08-15 EP disclosed
US-8216598-B2 Microcapsules with acetylene carbamide-polyurea polymers and formulations thereof for controlled release GAT MICROENCAPSULATION AG (AT) 2012-07-10 US disclosed
US-20090099024-A1 Microcapsules With Acetylene Carbamide-Polyurea Polymers and Formulations Thereof for Controlled Release FMC CORPORATION 2009-04-16 US disclosed
WO-2007112934-A1 MICROCAPSULES WITH ACETYLENE CARBAMIDE-POLYUREA POLYMERS AND FORMULATIONS THEREOF FOR CONTROLLED RELEASE GAT MICROENCAPSULATION AG (AT) 2007-10-11 WO disclosed
EP-1840145-A1 Acetylene carbamide derivatives-polyurea polymers and microcapsules and formulations thereof for controlled release GAT Microencapsulation AG (AT) 2007-10-03 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 (2 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-20090099024-A1 Microcapsules With Acetylene Carbamide-Polyurea Polymers and Formulations Thereof for Controlled Release ACAT2, ACAT1, ACACB LMNA 2163/4885HTR6 3301/4885SIGMAR1 967/4885
US-20120245027-A1 MICROCAPSULES WITH ACETYLENE CARBAMIDE-POLYUREA POLYMERS AND FORMULATIONS THEREOF FOR CONTROLLED RELEASE ACAT2, ACAT1, ACACB LMNA 2491/4885HTR6 3484/4885SIGMAR1 1317/4885

“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.