SCHEMBL2736189

SCHEMBL2736189

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
SCHEMBL902633 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 138 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115417829-A Preparation method of ritonavir enantiomer 武汉海特生物创新医药研究有限公司 2022-12-02 CN claimed
US-20140051888-A1 NOVEL STEREOISOMERIC MIXTURES, SYNTHESIS AND USES THEREOF AMPAC FINE CHEMICALS LLC (US) 2014-02-20 US claimed
CN-109912426-B Intermediate for synthesizing anti-AIDS medicine intensifier cobicistat 上海奥博生物医药股份有限公司(CN) 2023-01-13 CN disclosed
CN-109912426-B Intermediate for synthesizing anti-AIDS medicine intensifier cobicistat 上海奥博生物医药股份有限公司(CN) 2023-01-13 CN disclosed
CN-115417829-A Preparation method of ritonavir enantiomer 武汉海特生物创新医药研究有限公司 2022-12-02 CN disclosed
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
CN-107417548-B Cobicistat intermediate and preparation method thereof 常州制药厂有限公司 2020-02-14 CN disclosed
US-10351556-B2 Process for the preparation of 1,3-thiazol-5-ylmethyl [(2R,5R)-5-{[(2s)-2-[(methyl{[2-(propan-2-yl)-1,3-thiazol-4YL] methyl} carbamoyl) amino]-4-(morpholin-4-yl)butanoyl]amino)-1,6-diphenylhexan-2-yl]carbamate MSN LABORATORIES PRIVATE LIMITED (IN) 2019-07-16 US disclosed
US-20180221348-A1 MODULATORS OF PHARMACOKINETIC PROPERTIES OF THERAPEUTICS GILEAD SCIENCES, INC. 2018-08-09 US disclosed
EP-0997459-A1 Intermediates for preparing retroviral protease inhibiting compounds Abbott Laboratories (US) 2000-05-03 EP disclosed
US-5837873-A PROTECTED OXYDIAMINES ABBOTT LABORATORIES (US) 1998-11-17 US disclosed
US-5648497-A Retroviral protease inhibiting compounds ABBOTT LABORAOTRIES (US) 1997-07-15 US disclosed
US-5616714-A PYRIDYL, THIAZOLYL-SUBSTITUTED AMINO ACID DERIVATIVES ABBOTT LABORATORIES (US) 1997-04-01 US disclosed
US-5597926-A Retroviral protease inhibiting compounds ABBOTT LABORATORIES (US) 1997-01-28 US disclosed
US-5554783-A (2R, 3R, 4S, 5S)-3-ACETOXY-2,5-BIS/BENZYLOXYCARBONYLAMINO/ -4-BROMO-1,5-DIPHENYLHEXANE ABBOTT LABORATORIES (US) 1996-09-10 US disclosed
US-5541334-A TREATING HIV ABBOTT LABORATORIES (US) 1996-07-30 US disclosed
US-5354866-A Treating HIV infections ABBOTT LABORATORIES (US) 1994-10-11 US disclosed
EP-0486948-A2 Retroviral protease inhibiting compounds ABBOTT LABORATORIES (US) 1992-05-27 EP 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 (3 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-20140051888-A1 NOVEL STEREOISOMERIC MIXTURES, SYNTHESIS AND USES THEREOF DDT, DPYD, DHPS EPHX1 639/4885ANPEP 814/4885SLC6A2 2951/4885
US-10351556-B2 Process for the preparation of 1,3-thiazol-5-ylmethyl [(2R,5R)-5-{[(2s)-2-[(methyl{[2-(propan-2-yl)-1,3-thiazol-4YL] methyl} carbamoyl) amino]-4-(morpholin-4-yl)butanoyl]amino)-1,6-diphenylhexan-2-yl]carbamate METTL3, CPS1, PKD1 EPHX1 4404/4885ANPEP 2151/4885SLC6A2 4799/4885
US-20180221348-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.