SCHEMBL5515087

SCHEMBL5515087

OCC1(Nc2ccccc2)CCNCC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPFFR1 Q9GZQ6 3/20 0.52
NPFFR2 Q9Y5X5 3/20 0.52
OPRM1 P35372 3/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2D6 P10635 2/20 0.41
POLB P06746 1/20 0.39
CYP3A4 P08684 1/20 0.38
TSHR P16473 2/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
KMT2A Q03164 1/20 0.36
HIF1A Q16665 1/20 0.36
HTR2A P28223 1/20 0.35
USP2 O75604 1/20 0.35
TACR1 P25103 1/20 0.34
KDM1A O60341 1/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34

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
SCHEMBL20340442 0.81 CNR2 (0.39) NPFFR1NPFFR2ALDH1A1SLC6A4
Hydrochloric Acid SCHEMBL7841180 0.81 CYP1A2 (0.41) NPFFR1NPFFR2CYP1A2CYP2D6CYP3A4
SCHEMBL6122826 0.78 NPFFR1 (0.46) NPFFR1NPFFR2OPRM1CYP1A2CYP2D6
SCHEMBL9749001 0.78 NPFFR1 (0.46) NPFFR1NPFFR2OPRM1CYP1A2CYP2D6
Bromide SCHEMBL7691198 0.77 NPFFR1 (0.45) NPFFR1NPFFR2OPRM1CYP1A2CYP2D6
Oxalic Acid SCHEMBL28122334 0.76 NPFFR1 (0.50) NPFFR1NPFFR2OPRM1CYP1A2CYP2D6
SCHEMBL17767843 0.73 CYP2C19 (0.43) NPFFR1NPFFR2CYP1A2CYP2D6POLB
SCHEMBL3178014 0.72 NPFFR1 (0.67) NPFFR1NPFFR2OPRM1POLBCYP3A4
Hydrochloric Acid SCHEMBL6123389 0.72 NPFFR1 (0.67) NPFFR1NPFFR2OPRM1POLBCYP3A4
SCHEMBL28873836 0.72 GRIN2D (0.49) NPFFR1NPFFR2OPRM1CYP1A2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107001368-A The 1,9 diazaspiracyclic hendecane compounds with the anti-pain activity of multiplex mode 埃斯特韦博士实验室股份公司 2017-08-01 CN disclosed
US-7208604-B2 Methods for the synthesis of alfentanil, sufentanil, and remifentanil MALLINCKRODT INC. (US) 2007-04-24 US disclosed
US-7208604-B2 Methods for the synthesis of alfentanil, sufentanil, and remifentanil MALLINCKRODT INC. (US) 2007-04-24 US disclosed
US-7208604-B2 Methods for the synthesis of alfentanil, sufentanil, and remifentanil MALLINCKRODT INC. (US) 2007-04-24 US disclosed
EP-1246801-B1 METHODS FOR THE SYNTHESES OF ALFENTANIL, SUFENTANIL AND REMIFENTANIL MALLINCKRODT INC (US) 2006-09-20 EP disclosed
US-7074935-B2 Methods for the syntheses of alfentanil, sufentanil and remifentanil MALLINCKRODT INC. (US) 2006-07-11 US disclosed
US-20060149071-A1 New methods for the synthesis of alfentanil, sufentanil, and remifentanil MALLINCKRODT, INC. 2006-07-06 US disclosed
US-20040138461-A1 Methods for the syntheses of alfentanil sufentanil and remifentanil MALLINCKRODT, INC. 2004-07-15 US disclosed
EP-1246801-A2 METHODS FOR THE SYNTHESES OF ALFENTANIL, SUFENTANIL AND REMIFENTANIL MALLINCKRODT INC. (US) 2002-10-09 EP disclosed
WO-2001040184-A2 METHODS FOR THE SYNTHESES OF ALFENTANIL, SUFENTANIL AND REMIFENTANIL MALLINCKRODT INC. (US) 2001-06-07 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 (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-20060149071-A1 New methods for the synthesis of alfentanil, sufentanil, and remifentanil OPRK1, OPRM1, OPRL1 NPFFR1 285/4885NPFFR2 116/4885OPRM1 2/4885
US-20040138461-A1 Methods for the syntheses of alfentanil sufentanil and remifentanil HNMT, OPRM1, ALKBH3 NPFFR1 1545/4885NPFFR2 1215/4885OPRM1 2/4885

“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.