SCHEMBL13227777

SCHEMBL13227777

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

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ EPHX1 P07099 1/20 0.64
▸ ANPEP P15144 1/20 0.55
▸ SLC6A2 P23975 3/20 0.54
▸ TAAR1 Q96RJ0 3/20 0.54
▸ MAOA P21397 1/20 0.54
▸ SLC6A4 P31645 1/20 0.54
▸ SLC6A3 Q01959 1/20 0.54
▸ SIGMAR1 Q99720 1/20 0.54
▸ CYP2A6 P11509 1/20 0.54
▸ ADORA2A P29274 1/20 0.54
▸ ADORA1 P30542 1/20 0.54
▸ CYP2D6 P10635 1/20 0.50
▸ SCN4A P35499 2/20 0.46
▸ ALPI P09923 1/20 0.44
▸ PKM P14618 1/20 0.44
▸ PTGS1 P23219 1/20 0.44
▸ XIAP P98170 1/20 0.44
▸ SLC7A5 Q01650 1/20 0.44
▸ TACR1 P25103 1/20 0.44

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
SCHEMBL15250377 1.00 EPHX1 (0.64) EPHX1ANPEPSLC6A2TAAR1MAOA
SCHEMBL20992605 1.00 EPHX1 (0.64) EPHX1ANPEPSLC6A2TAAR1MAOA
SCHEMBL24312629 0.84 EPHX1 (0.59) EPHX1ANPEPSLC6A2TAAR1MAOA
SCHEMBL20821476 0.84 EPHX1 (0.59) EPHX1ANPEPSLC6A2TAAR1MAOA
SCHEMBL23986747 0.82 SLC6A4 (0.42) EPHX1ANPEPSLC6A2TAAR1SLC6A4
SCHEMBL23986762 0.82 SLC6A4 (0.43) EPHX1ANPEPSLC6A2TAAR1SLC6A4
SCHEMBL20763845 0.80 TAAR1 (0.57) SLC6A2TAAR1SLC6A4SLC7A5
SCHEMBL20763851 0.80 TAAR1 (0.57) SLC6A2TAAR1SLC6A4SLC7A5
SCHEMBL20763836 0.80 EPHX1 (0.59) EPHX1ANPEPSLC6A2TAAR1MAOA
SCHEMBL2627109 0.80 TRPA1 (0.43) EPHX1TAAR1MAOASLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11814406-B2 Compounds and methods for treatment of viral infections GILEAD SCIENCES, INC. (US) 2023-11-14 — — US disclosed
US-11814406-B2 Compounds and methods for treatment of viral infections GILEAD SCIENCES, INC. (US) 2023-11-14 — — US disclosed
US-20230151043-A1 COMPOUNDS AND METHODS FOR TREATMENT OF VIRAL INFECTIONS GILEAD SCIENCES, INC. 2023-05-18 — — US disclosed
US-20230151043-A1 COMPOUNDS AND METHODS FOR TREATMENT OF VIRAL INFECTIONS GILEAD SCIENCES, INC. 2023-05-18 — — US disclosed
US-20220081462-A1 COMPOUNDS AND METHODS FOR TREATMENT OF VIRAL INFECTIONS GILEAD SCIENCES, INC. 2022-03-17 — — US disclosed
US-20100210552-A1 HUMAN GLUCAGON-LIKE PEPTIDE-1 MIMICS AND THEIR USE IN THE TREATMENT OF DIABETES AND RELATED CONDITIONS BRISTOL-MYERS SQUIBB COMPANY 2010-08-19 — — US disclosed
US-20100210552-A1 HUMAN GLUCAGON-LIKE PEPTIDE-1 MIMICS AND THEIR USE IN THE TREATMENT OF DIABETES AND RELATED CONDITIONS BRISTOL-MYERS SQUIBB COMPANY 2010-08-19 — — US disclosed
US-20070287670-A1 HUMAN GLUCAGON-LIKE PEPTIDE-1 MIMICS AND THEIR USE IN THE TREATMENT OF DIABETES AND RELATED CONDITIONS BRISTOL-MYERS SQUIBB COMPANY 2007-12-13 — — US disclosed
US-7238670-B2 Human glucagon-like-peptide-1 mimics and their use in the treatment of diabetes and related conditions BRISTOL-MYERS SQUIBB COMPANY (US) 2007-07-03 — — 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 (5 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-20070287670-A1 HUMAN GLUCAGON-LIKE PEPTIDE-1 MIMICS AND THEIR USE IN THE TREATMENT OF DIABETES AND RELATED CONDITIONS GLP1R, IAPP, GIPR EPHX1 4048/4885ANPEP 99/4885SLC6A2 4493/4885
US-20220081462-A1 COMPOUNDS AND METHODS FOR TREATMENT OF VIRAL INFECTIONS HAVCR2, EIF2AK2, ACE EPHX1 1802/4885ANPEP 666/4885SLC6A2 3311/4885
US-11814406-B2 Compounds and methods for treatment of viral infections HAVCR2, EIF2AK2, ACE EPHX1 1802/4885ANPEP 666/4885SLC6A2 3311/4885
US-20100210552-A1 HUMAN GLUCAGON-LIKE PEPTIDE-1 MIMICS AND THEIR USE IN THE TREATMENT OF DIABETES AND RELATED CONDITIONS GLP1R, IAPP, GIPR EPHX1 4048/4885ANPEP 99/4885SLC6A2 4493/4885
US-20230151043-A1 COMPOUNDS AND METHODS FOR TREATMENT OF VIRAL INFECTIONS HAVCR2, EIF2AK2, ACE EPHX1 1802/4885ANPEP 666/4885SLC6A2 3311/4885

“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.

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