SCHEMBL902633

SCHEMBL902633

N[C@@H](CC[C@H](N)Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.80
ANPEP P15144 2/20 0.67
SLC6A2 P23975 2/20 0.58
TAAR1 Q96RJ0 2/20 0.58
MAOA P21397 1/20 0.58
SLC6A4 P31645 1/20 0.58
SLC6A3 Q01959 1/20 0.58
SIGMAR1 Q99720 1/20 0.58
CYP2A6 P11509 1/20 0.58
ADORA2A P29274 1/20 0.58
ADORA1 P30542 1/20 0.58
CYP2D6 P10635 1/20 0.54
ALPI P09923 1/20 0.52
PKM P14618 1/20 0.52
PTGS1 P23219 1/20 0.52
XIAP P98170 1/20 0.52
SLC7A5 Q01650 1/20 0.52
SCN4A P35499 2/20 0.48
MMP2 P08253 1/20 0.48
LAP3 P28838 2/20 0.48

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
SCHEMBL2736189 1.00 EPHX1 (0.80) EPHX1ANPEPSLC6A2TAAR1MAOA
SCHEMBL902607 1.00 EPHX1 (0.80) EPHX1ANPEPSLC6A2TAAR1MAOA
SCHEMBL15476621 1.00 EPHX1 (0.80) EPHX1ANPEPSLC6A2TAAR1MAOA
SCHEMBL18034347 1.00 EPHX1 (0.80) EPHX1ANPEPSLC6A2TAAR1MAOA
Hydrochloric Acid SCHEMBL16279669 0.97 EPHX1 (0.76) EPHX1ANPEPSLC6A2TAAR1MAOA
Hydrochloric Acid SCHEMBL31169575 0.97 EPHX1 (0.76) EPHX1ANPEPSLC6A2TAAR1MAOA
Hydrochloric Acid SCHEMBL16279671 0.97 EPHX1 (0.76) EPHX1ANPEPSLC6A2TAAR1MAOA
SCHEMBL16137191 0.93 EPHX1 (0.70) EPHX1ANPEPSLC6A2TAAR1MAOA
SCHEMBL20466361 0.90 EPHX1 (0.73) EPHX1ANPEPSLC6A2TAAR1MAOA
SCHEMBL4303544 0.90 EPHX1 (0.73) EPHX1ANPEPSLC6A2TAAR1MAOA

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 85 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140051888-A1 NOVEL STEREOISOMERIC MIXTURES, SYNTHESIS AND USES THEREOF AMPAC FINE CHEMICALS LLC (US) 2014-02-20 US claimed
EP-3696171-A1 MODULATORS OF PHARMACOKINETIC PROPERTIES OF THERAPEUTICS Gilead Sciences, Inc. (US) 2020-08-19 EP disclosed
EP-3689353-A1 MODULATORS OF PHARMACOKINETIC PROPERTIES OF THERAPEUTICS Gilead Sciences, Inc. (US) 2020-08-05 EP disclosed
EP-3112355-B1 MODULATORS OF PHARMACOKINETIC PROPERTIES OF THERAPEUTICS GILEAD SCIENCES INC (US) 2020-04-29 EP disclosed
US-20180221348-A1 MODULATORS OF PHARMACOKINETIC PROPERTIES OF THERAPEUTICS GILEAD SCIENCES, INC. 2018-08-09 US disclosed
US-20180221348-A1 MODULATORS OF PHARMACOKINETIC PROPERTIES OF THERAPEUTICS GILEAD SCIENCES, INC. 2018-08-09 US disclosed
US-9891239-B2 Modulators of pharmacokinetic properties of therapeutics GILEAD SCIENCES, INC. (US) 2018-02-13 US disclosed
US-9891239-B2 Modulators of pharmacokinetic properties of therapeutics GILEAD SCIENCES, INC. (US) 2018-02-13 US disclosed
US-20170158647-A1 MODULATORS OF PHARMACOKINETIC PROPERTIES OF THERAPEUTICS GILEAD SCIENCES, INC. 2017-06-08 US disclosed
US-20170158647-A1 MODULATORS OF PHARMACOKINETIC PROPERTIES OF THERAPEUTICS GILEAD SCIENCES, INC. 2017-06-08 US disclosed
US-20090291952-A1 MODULATORS OF PHARMACOKINETIC PROPERTIES OF THERAPEUTICS GILEAD SCIENCES, INC. (US) 2009-11-26 US disclosed
US-20090181902-A1 Modulators of pharmacokinetic properties of therapeutics GILEAD SCIENCES,INC. (US) 2009-07-16 US disclosed
US-20090181902-A1 Modulators of pharmacokinetic properties of therapeutics GILEAD SCIENCES,INC. (US) 2009-07-16 US disclosed
WO-2009008989-A1 MODULATORS OF PHARMACOKINETIC PROPERTIES OF THERAPEUTICS GILEAD SCIENCES, INC. (US) 2009-01-15 WO disclosed
WO-2008103949-A1 MODULATORS OF PHARMACOKINETIC PROPERTIES OF THERAPEUTICS GILEAD SCIENCES, INC. (US) 2008-08-28 WO disclosed
US-20080207620-A1 MODULATORS OF PHARMACOKINETIC PROPERTIES OF THERAPEUTICS GILEAD SCIENCES, INC. 2008-08-28 US disclosed
US-20080207620-A1 MODULATORS OF PHARMACOKINETIC PROPERTIES OF THERAPEUTICS GILEAD SCIENCES, INC. 2008-08-28 US disclosed
US-20080108617-A1 co-administered drug (as HIV protease inhibiting compound, an HIV (non)nucleoside/nucleotide inhibitor of reverse transcriptase, capsid polymerization inhibitor, interferon, ribavirin analog) by inhibiting cytochrome P450 monooxygenase; ureido- or amido-amine derivatives; side effect reduction GILEAD SCIENCES, INC. 2008-05-08 US disclosed
US-20080108617-A1 co-administered drug (as HIV protease inhibiting compound, an HIV (non)nucleoside/nucleotide inhibitor of reverse transcriptase, capsid polymerization inhibitor, interferon, ribavirin analog) by inhibiting cytochrome P450 monooxygenase; ureido- or amido-amine derivatives; side effect reduction GILEAD SCIENCES, INC. 2008-05-08 US disclosed
WO-2008010921-A2 MODULATORS OF PHARMACOKINETIC PROPERTIES OF THERAPEUTICS GILEAD SCIENCES, INC. (US) 2008-01-24 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 (7 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-20080108617-A1 co-administered drug (as HIV protease inhibiting compound, an HIV (non)nucleoside/nucleotide inhibitor of reverse transcriptase, capsid polymerization inhibitor, interferon, ribavirin analog) by inhibiting cytochrome P450 monooxygenase; ureido- or amido-amine derivatives; side effect reduction PNP, UNG, PNPO EPHX1 1051/4885ANPEP 22/4885SLC6A2 1069/4885
US-20090181902-A1 Modulators of pharmacokinetic properties of therapeutics SLC10A1, SLC10A2, SLC26A4 EPHX1 1944/4885ANPEP 771/4885SLC6A2 156/4885
US-20080207620-A1 MODULATORS OF PHARMACOKINETIC PROPERTIES OF THERAPEUTICS SLC10A1, SLC10A2, SLC26A4 EPHX1 1991/4885ANPEP 660/4885SLC6A2 155/4885
US-20140051888-A1 NOVEL STEREOISOMERIC MIXTURES, SYNTHESIS AND USES THEREOF DDT, DPYD, DHPS EPHX1 639/4885ANPEP 814/4885SLC6A2 2951/4885
US-20180221348-A1 MODULATORS OF PHARMACOKINETIC PROPERTIES OF THERAPEUTICS SLC10A1, SLC10A2, ABCB11 EPHX1 1708/4885ANPEP 550/4885SLC6A2 185/4885
US-20170158647-A1 MODULATORS OF PHARMACOKINETIC PROPERTIES OF THERAPEUTICS SLC10A1, SLC10A2, SLC26A4 EPHX1 1991/4885ANPEP 660/4885SLC6A2 155/4885
US-20090291952-A1 MODULATORS OF PHARMACOKINETIC PROPERTIES OF THERAPEUTICS SLC10A1, SLC10A2, ABCB11 EPHX1 1708/4885ANPEP 550/4885SLC6A2 185/4885

“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.