SCHEMBL11229772

SCHEMBL11229772

CC(C)CCCCC(C)N

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.63
LMNA P02545 1/20 0.53
TP53 P04637 1/20 0.48
ALDH1A1 P00352 4/20 0.44
TDP1 Q9NUW8 1/20 0.44
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
TRPV1 Q8NER1 1/20 0.39
TRPA1 O75762 1/20 0.39
GABRP O00591 2/20 0.38
GABRD O14764 2/20 0.38
GABRA1 P14867 2/20 0.38
GABRB1 P18505 2/20 0.38
GABRG2 P18507 2/20 0.38
GABRB3 P28472 2/20 0.38
GABRA5 P31644 2/20 0.38
GABRA3 P34903 2/20 0.38
GABRA2 P47869 2/20 0.38
GABRB2 P47870 2/20 0.38
GABRA4 P48169 2/20 0.38

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
SCHEMBL21206243 1.00 OPRM1 (0.63) OPRM1LMNATP53ALDH1A1TDP1
SCHEMBL22221856 0.97 OPRM1 (0.60) OPRM1LMNATP53ALDH1A1TDP1
SCHEMBL14006779 0.97 OPRM1 (0.60) OPRM1LMNATP53ALDH1A1TDP1
SCHEMBL22474102 0.97 OPRM1 (0.60) OPRM1LMNATP53ALDH1A1TDP1
SCHEMBL21142889 0.97 OPRM1 (0.60) OPRM1LMNATP53ALDH1A1TDP1
SCHEMBL19395998 0.97 OPRM1 (0.60) OPRM1LMNATP53ALDH1A1TDP1
SCHEMBL22221818 0.97 OPRM1 (0.60) OPRM1LMNATP53ALDH1A1TDP1
Octodrine SCHEMBL2253652 0.93
Octodrine SCHEMBL2248637 0.93
Octodrine SCHEMBL250416 0.93

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210332080-A1 HYDROPHILIC LINKERS FOR ANTIBODY DRUG CONJUGATES REGENERON PHARMACEUTICALS, INC. 2021-10-28 US disclosed
WO-2021121327-A1 SUBSTITUTED STRAIGHT CHAIN SPIRO DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2021-06-24 WO disclosed
US-11034707-B2 Group 5 metal complexes for catalytic amine functionalization THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2021-06-15 US disclosed
US-20200283459-A1 GROUP 5 METAL COMPLEXES FOR CATALYTIC AMINE FUNCTIONALIZATION THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2020-09-10 US disclosed
EP-3403393-B1 MULTI-APERTURE IMAGING DEVICES, METHOD FOR PRODUCING SAME, AND IMAGING SYSTEM FRAUNHOFER GES FORSCHUNG (DE) 2020-08-12 EP disclosed
WO-2020055976-A1 TERT-BUTYL (S)-2-(4-(PHENYL)-6H-THIENO[3,2-F][1,2,4]TRIAZOLO[4,3-A] [1,4]DIAZEPIN-6-YL) ACETATE DERIVATIVES AND RELATED COMPOUNDS AS BROMODOMAIN BRD4 INHIBITORS FOR TREATING CANCER GENENTECH, INC. (US) 2020-03-19 WO disclosed
US-4312861-A Pharmaceutical compositions containing N-alkyl-N-(nuclearly-substituted) benzylamines having vasotonia-regulating activity HOECHST AKTIENGESELLSCHAFT (DE) 1982-01-26 US 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-20210332080-A1 HYDROPHILIC LINKERS FOR ANTIBODY DRUG CONJUGATES CD44, CD47, EPCAM OPRM1 2765/4885LMNA 2253/4885TP53 968/4885
US-20200283459-A1 GROUP 5 METAL COMPLEXES FOR CATALYTIC AMINE FUNCTIONALIZATION ADH5, PRMT5, MAOA OPRM1 118/4885LMNA 3171/4885TP53 3774/4885
US-11034707-B2 Group 5 metal complexes for catalytic amine functionalization ADH5, PRMT5, MAOA OPRM1 118/4885LMNA 3171/4885TP53 3774/4885

“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.