SCHEMBL2750833

SCHEMBL2750833

C=CCN1C[C@H](C)N([C@H](c2ccc(C(=O)N(CC)CC)cc2)c2cccc(C)c2)C[C@H]1C

nearest known ligand 0.84

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 5/20 0.84
OPRD1 P41143 5/20 0.84
CYP1A2 P05177 4/20 0.84
CYP2C9 P11712 3/20 0.84
HPGD P15428 3/20 0.84
OPRM1 P35372 3/20 0.84
OPRK1 P41145 2/20 0.84
SIGMAR1 Q99720 1/20 0.84
KDM4E B2RXH2 2/20 0.83
CYP2C19 P33261 2/20 0.83
MEN1 O00255 2/20 0.80
KMT2A Q03164 2/20 0.80
CYP2D6 P10635 2/20 0.80
LMNA P02545 1/20 0.80
BLM P54132 1/20 0.80
PMP22 Q01453 1/20 0.80
MAPT P10636 1/20 0.80
TDP1 Q9NUW8 1/20 0.80
NFKB1 P19838 1/20 0.80

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
SCHEMBL232127 0.91 CYP3A4 (1.00) CYP3A4OPRD1CYP1A2CYP2C9HPGD
SCHEMBL29457703 0.91 CYP3A4 (1.00) CYP3A4OPRD1CYP1A2CYP2C9HPGD
SCHEMBL12019442 0.91 CYP3A4 (1.00) CYP3A4OPRD1CYP1A2CYP2C9HPGD
SCHEMBL4575410 0.91 CYP3A4 (1.00) CYP3A4OPRD1CYP1A2CYP2C9HPGD
SCHEMBL232128 0.91 CYP3A4 (1.00) CYP3A4OPRD1CYP1A2CYP2C9HPGD
SCHEMBL232385 0.91 CYP3A4 (1.00) CYP3A4OPRD1CYP1A2CYP2C9HPGD
SCHEMBL4576328 0.91 CYP3A4 (1.00) CYP3A4OPRD1CYP1A2CYP2C9HPGD
SCHEMBL6933968 0.91 CYP3A4 (1.00) CYP3A4OPRD1CYP1A2CYP2C9HPGD
SCHEMBL232384 0.91 CYP3A4 (1.00) CYP3A4OPRD1CYP1A2CYP2C9HPGD
SCHEMBL6934906 0.91 CYP3A4 (1.00) CYP3A4OPRD1CYP1A2CYP2C9HPGD

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
US-20160257677-A1 LARGE SUBSTITUTENT, NON-PHENOLIC OPIOIDS AND METHODS OF USE THEREOF RENSSELAER POLYTECHNIC INSTITUTE (US) 2016-09-08 US disclosed
US-9314463-B2 Oligomer-diarylpiperazine conjugates NEKTAR THERAPEUTICS (US) 2016-04-19 US disclosed
US-20150335640-A1 OLIGOMER-DIARYLPIPERAZINE CONJUGATES NEKTAR THERAPEUTICS 2015-11-26 US disclosed
US-9061026-B2 Oligomer-diarylpiperazine conjugates NEKTAR THERAPEUTICS (US) 2015-06-23 US disclosed
US-20150051194-A1 LARGE SUBSTITUENT, NON-PHENOLIC OPIOIDS AND METHODS OF USE THEREOF RENSSELAER POLYTECHNIC INSTITUTE (US) 2015-02-19 US disclosed
US-20140155412-A1 OLIGOMER-DIARYLPIPERAZINE CONJUGATES NEKTAR THERAPEUTICS (US) 2014-06-05 US disclosed
US-20120004242-A1 Oligomer-Diarylpiperazine Conjugates NEKTAR THERAPEUTICS (US) 2012-01-05 US disclosed
US-20110306603-A1 LARGE SUBSTITUENT, NON-PHENOLIC OPIOIDS AND METHODS OF USE THEREOF RENSSELAER POLYTECHNIC INSTITUTE (US) 2011-12-15 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 (6 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-20150051194-A1 LARGE SUBSTITUENT, NON-PHENOLIC OPIOIDS AND METHODS OF USE THEREOF OPRK1, OPRM1, OPRD1 CYP3A4 98/4885OPRD1 3/4885CYP1A2 164/4885
US-20140155412-A1 OLIGOMER-DIARYLPIPERAZINE CONJUGATES BIRC5, MTX2, IAPP CYP3A4 771/4885OPRD1 2294/4885CYP1A2 493/4885
US-20160257677-A1 LARGE SUBSTITUTENT, NON-PHENOLIC OPIOIDS AND METHODS OF USE THEREOF OPRM1, OPRK1, SIGMAR1 CYP3A4 66/4885OPRD1 4/4885CYP1A2 106/4885
US-20110306603-A1 LARGE SUBSTITUENT, NON-PHENOLIC OPIOIDS AND METHODS OF USE THEREOF OPRK1, OPRM1, OPRD1 CYP3A4 98/4885OPRD1 3/4885CYP1A2 164/4885
US-20120004242-A1 Oligomer-Diarylpiperazine Conjugates BIRC5, MTX2, IAPP CYP3A4 771/4885OPRD1 2294/4885CYP1A2 493/4885
US-20150335640-A1 OLIGOMER-DIARYLPIPERAZINE CONJUGATES BIRC5, MTX2, IAPP CYP3A4 771/4885OPRD1 2294/4885CYP1A2 493/4885

“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.