SCHEMBL902607

SCHEMBL902607

NC(CCC(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
SCHEMBL902633 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 39 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
CN-107857877-B High-fluidity polyhexamethylene adipamide modified base resin and preparation method thereof 华峰集团有限公司 2020-09-04 CN claimed
CN-109912426-A For synthesizing anti-AIDS pharmaceutical reinforcing agent than the new intermediate for taking charge of his (cobicistant) 上海奥博生物医药技术有限公司 2019-06-21 CN claimed
US-20140051888-A1 NOVEL STEREOISOMERIC MIXTURES, SYNTHESIS AND USES THEREOF AMPAC FINE CHEMICALS LLC (US) 2014-02-20 US claimed
EP-0973726-B1 METHOD FOR SYNTHESIS OF RHIZOFERRIN UNIV FLORIDA (US) 2005-04-06 EP claimed
CN-116354864-A Diamine containing intramolecular imide ring and aliphatic alkyl group, polyimide formed based on diamine, preparation method and application thereof 天津科技大学 2023-06-30 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-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-107857877-B High-fluidity polyhexamethylene adipamide modified base resin and preparation method thereof 华峰集团有限公司 2020-09-04 CN disclosed
CN-109912426-A For synthesizing anti-AIDS pharmaceutical reinforcing agent than the new intermediate for taking charge of his (cobicistant) 上海奥博生物医药技术有限公司 2019-06-21 CN disclosed
CN-109912426-A For synthesizing anti-AIDS pharmaceutical reinforcing agent than the new intermediate for taking charge of his (cobicistant) 上海奥博生物医药技术有限公司 2019-06-21 CN disclosed
CN-107857877-A High fluidity polyhexamethylene adipamide modified base material resin and preparation method thereof 华峰集团有限公司 2018-03-30 CN disclosed
US-20040006049-A1 Novel polyamine analog conjugates and quinone conjugates as therapies for cancers and prostate diseases SLIL BIOMEDICAL CORPORATION (US) 2004-01-08 US disclosed
US-6649587-B1 Cytostatic or cytocidal componenet conjugated to a polypeptide recognized and cleaved by enzymes such as prostate specific antigen (PSA) and cathepsin B SLIL BIOMEDICAL CORPORATION 2003-11-18 US disclosed
US-6613764-B1 Compounds such as N,N-dibenzylphenylalanine benzyl ester, used as enzyme inhibitors; prophylaxis of lymphadenopathy associated virus, cancer and malaria THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES 2003-09-02 US disclosed
EP-1337504-A2 NOVEL POLYAMINE ANALOG-AMINO ACID CONJUGATES USEFUL AS ANTICANCER AGENTS Slil Biomedical Corporation (US) 2003-08-27 EP disclosed
WO-2002091989-A2 ANTIVIRAL THERAPIES USING POLYAMINE OR POLYAMINE ANALOG-AMINO ACID CONJUGATES SLIL BIOMEDICAL CORPORATION (US) 2002-11-21 WO disclosed
WO-2002038105-A2 NOVEL POLYAMINE ANALOG-AMINO ACID CONJUGATES USEFUL AS ANTICANCER AGENTS SLIL BIOMEDICAL CORPORATION (US) 2002-05-16 WO disclosed
EP-1173223-A2 CONJUGATES AS THERAPIES FOR CANCERS AND PROSTATE DISEASES Slil Biomedical Corporation (US) 2002-01-23 EP disclosed
WO-2000066175-A2 CONJUGATES AS THERAPIES FOR CANCER AND PROSTATE DISEASES SLIL BIOMEDICAL CORPORATION (US) 2000-11-09 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-20140051888-A1 NOVEL STEREOISOMERIC MIXTURES, SYNTHESIS AND USES THEREOF DDT, DPYD, DHPS EPHX1 639/4885ANPEP 814/4885SLC6A2 2951/4885
US-20040006049-A1 Novel polyamine analog conjugates and quinone conjugates as therapies for cancers and prostate diseases CTSB, CTSL, CTSV EPHX1 1504/4885ANPEP 69/4885SLC6A2 2035/4885

“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.