SCHEMBL3786109

SCHEMBL3786109

N#CC1(c2cccs2)CCNCC1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
PRCP P42785 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
OPRM1 P35372 2/20 0.36
SLC6A3 Q01959 1/20 0.36
OPRL1 P41146 1/20 0.36
HSD17B10 Q99714 1/20 0.35
CCR1 P32246 1/20 0.34
SLC6A4 P31645 1/20 0.34
LMNA P02545 1/20 0.32
TSHR P16473 1/20 0.32

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
Hydrochloric Acid SCHEMBL8351844 0.98 SLC6A2 (0.37) SLC6A2MEN1KMT2APRCPSIGMAR1
SCHEMBL4441268 0.87 SLC6A2 (0.43) SLC6A2MEN1KMT2APRCPSIGMAR1
SCHEMBL8112308 0.83 SLC6A2 (0.44) SLC6A2MEN1KMT2APRCPSIGMAR1
SCHEMBL3518650 0.81 SLC6A2 (0.51) SLC6A2MEN1KMT2APRCPSIGMAR1
SCHEMBL3933873 0.77 LMNA (0.40) SLC6A2MEN1KMT2APRCPSIGMAR1
SCHEMBL13229259 0.76 OPRM1 (0.51) MEN1KMT2APRCPSIGMAR1OPRM1
SCHEMBL2987797 0.76 SLC6A2 (0.37) SLC6A2MEN1KMT2APRCPSIGMAR1
SCHEMBL3934675 0.75 CYP2C9 (0.36) SLC6A2MEN1KMT2APRCPSIGMAR1
Ethylene SCHEMBL11087552 0.75 LMNA (0.38) SLC6A2MEN1KMT2APRCPSIGMAR1
SCHEMBL1401191 0.74 OPRM1 (0.50) SLC6A2MEN1KMT2APRCPSIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11584765-B2 Polycyclic amines as sigma receptor modulators Ecstasy LLC (US) 2023-02-21 US disclosed
CN-110662541-B Polycyclic amines as opioid receptor modulators 王晓冬 2023-02-10 CN disclosed
US-20220411442-A1 POLYCYCLIC AMINES AS OPIOID RECEPTOR MODULATORS Ecstasy LLC 2022-12-29 US disclosed
US-10676456-B2 Polycyclic amines as opioid receptor modulators Ecstasy LLC 2020-06-09 US disclosed
CN-110662541-A Polycyclic amines as opioid receptor modulators 王晓冬 2020-01-07 CN disclosed
WO-2018169818-A1 POLYCYCLIC AMINES AS OPIOID RECEPTOR MODULATORS WANG XIAODONG (US) 2018-09-20 WO disclosed
US-20180258065-A1 POLYCYCLIC AMINES AS OPIOID RECEPTOR MODULATORS Ecstasy LLC 2018-09-13 US disclosed
US-20100204265-A1 Certain Nitrogen Containing Bicyclic Chemical Entities for Treating Viral Infections GENELABS TECHNOLOGIES, INC. 2010-08-12 US disclosed
US-20100204265-A1 Certain Nitrogen Containing Bicyclic Chemical Entities for Treating Viral Infections GENELABS TECHNOLOGIES, INC. 2010-08-12 US disclosed
US-20100204265-A1 Certain Nitrogen Containing Bicyclic Chemical Entities for Treating Viral Infections GENELABS TECHNOLOGIES, INC. 2010-08-12 US disclosed
WO-2010091409-A1 CERTAIN NITROGEN CONTAINING BICYCLIC CHEMICAL ENTITIES FOR TREATING VIRAL INFECTIONS GLAXOSMITHKLINE LLC (US) 2010-08-12 WO disclosed
WO-2010091409-A1 CERTAIN NITROGEN CONTAINING BICYCLIC CHEMICAL ENTITIES FOR TREATING VIRAL INFECTIONS GLAXOSMITHKLINE LLC (US) 2010-08-12 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 (5 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-10676456-B2 Polycyclic amines as opioid receptor modulators OPRM1, OPRL1, OPRK1 SLC6A2 81/4885MEN1 4685/4885KMT2A 1414/4885
US-11584765-B2 Polycyclic amines as sigma receptor modulators OPRM1, SIGMAR1, OPRK1 SLC6A2 36/4885MEN1 4637/4885KMT2A 1818/4885
US-20100204265-A1 Certain Nitrogen Containing Bicyclic Chemical Entities for Treating Viral Infections OAT, HAVCR2, CPS1 SLC6A2 3052/4885MEN1 4257/4885KMT2A 3145/4885
US-20180258065-A1 POLYCYCLIC AMINES AS OPIOID RECEPTOR MODULATORS OPRM1, OPRL1, OPRK1 SLC6A2 81/4885MEN1 4685/4885KMT2A 1414/4885
US-20220411442-A1 POLYCYCLIC AMINES AS OPIOID RECEPTOR MODULATORS OPRM1, OPRL1, OPRK1 SLC6A2 81/4885MEN1 4685/4885KMT2A 1414/4885

“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.