SCHEMBL16180337

SCHEMBL16180337

C=CCN[C@H](C)Cc1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 2/20 0.66
SIGMAR1 Q99720 12/20 0.61
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2D6 P10635 1/20 0.56
TSHR P16473 1/20 0.56
TAAR1 Q96RJ0 3/20 0.55
SLC18A2 Q05940 1/20 0.55
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
ADRB2 P07550 1/20 0.53
ADRB1 P08588 1/20 0.53
HTR1A P08908 1/20 0.53
ADORA3 P0DMS8 1/20 0.53
DRD2 P14416 1/20 0.53
ADRA2B P18089 1/20 0.53
ADRA2C P18825 1/20 0.53
CNR1 P21554 1/20 0.53
SLC6A2 P23975 1/20 0.53
HTR2A P28223 1/20 0.53

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
SCHEMBL16180336 1.00 SLC6A4 (0.66) SLC6A4SIGMAR1CYP1A2CYP3A4CYP2D6
SCHEMBL17865626 0.90 SLC6A4 (0.77) SLC6A4SIGMAR1CYP1A2CYP3A4CYP2D6
SCHEMBL18162763 0.87 SLC6A4 (0.59) SLC6A4SIGMAR1CYP1A2CYP3A4CYP2D6
SCHEMBL19285610 0.81 TAAR1 (0.62) SLC6A4SIGMAR1CYP1A2CYP3A4CYP2D6
SCHEMBL15901777 0.79 SIGMAR1 (0.58) SLC6A4SIGMAR1CYP1A2CYP3A4CYP2D6
SCHEMBL10813549 0.79 SIGMAR1 (0.68) SLC6A4SIGMAR1CYP1A2CYP3A4CYP2D6
SCHEMBL29059547 0.78 SIGMAR1 (0.81) SLC6A4SIGMAR1CYP1A2CYP3A4CYP2D6
SCHEMBL9594275 0.78 GAA (0.44) SLC6A4SIGMAR1CYP1A2TAAR1SLC18A2
SCHEMBL28579561 0.77 TAAR1 (0.67) SIGMAR1CYP1A2CYP3A4CYP2D6TSHR
N-Benzylamphetamine SCHEMBL2795222 0.76 SIGMAR1 (1.00) SIGMAR1CYP1A2CYP3A4CYP2D6TSHR

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
EP-3312183-B1 DEUTERATED MORPHINE DERIVATIVES FOR USE IN ANALGESIA UNIV SZEGEDI (HU) 2020-06-17 EP disclosed
EP-3312183-A1 DEUTERATED MORPHINE DERIVATIVES Szegedi Tudományegyetem (HU) 2018-04-25 EP disclosed
EP-2986612-B1 DEUTERATED MORPHINE DERIVATIVES Szegedi Tudományegyetem (HU) 2017-06-07 EP disclosed
US-9447108-B2 Deuterated morphine derivatives Szegedi Tudományegyetem (HU) 2016-09-20 US disclosed
US-20160052931-A1 DEUTERATED MORPHINE DERIVATIVES Szegedi Tudományegyetem (HU) 2016-02-25 US disclosed
EP-2986612-A1 DEUTERATED MORPHINE DERIVATIVES Szegedi Tudományegyetem (HU) 2016-02-24 EP disclosed
WO-2014170704-A1 DEUTERATED MORPHINE DERIVATIVES Szegedi Tudományegyetem (HU) 2014-10-23 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-20160052931-A1 DEUTERATED MORPHINE DERIVATIVES OPRD1, OPRM1, OPRK1 SLC6A4 1493/4885SIGMAR1 5/4885CYP1A2 306/4885

“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.