SCHEMBL10253191

SCHEMBL10253191

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

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 3/20 0.58
TAAR1 Q96RJ0 3/20 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
EPHX1 P07099 1/20 0.56
KDM4E B2RXH2 1/20 0.55
LMNA P02545 1/20 0.55
MAPK1 P28482 1/20 0.55
CYP2D6 P10635 1/20 0.54
ANPEP P15144 2/20 0.48
ALPI P09923 1/20 0.47
PKM P14618 1/20 0.47
PTGS1 P23219 1/20 0.47
XIAP P98170 1/20 0.47
SLC7A5 Q01650 1/20 0.47

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
SCHEMBL14038762 1.00 SLC6A2 (0.58) SLC6A2TAAR1MAOASLC6A4SLC6A3
SCHEMBL3843513 1.00 SLC6A2 (0.58) SLC6A2TAAR1MAOASLC6A4SLC6A3
SCHEMBL31545954 0.85 SLC6A2 (0.52) SLC6A2TAAR1MAOASLC6A4SLC6A3
SCHEMBL1619118 0.84 SLC6A2 (0.56) SLC6A2TAAR1MAOASLC6A4SLC6A3
SCHEMBL1153493 0.83 KDM4E (0.61) SLC6A2TAAR1MAOASLC6A4SLC6A3
Hydrochloric Acid SCHEMBL7066881 0.83 SLC6A2 (0.54) SLC6A2TAAR1MAOASLC6A4SLC6A3
SCHEMBL8540631 0.83 KDM4E (0.61) SLC6A2TAAR1MAOASLC6A4SLC6A3
SCHEMBL1153491 0.83 KDM4E (0.61) SLC6A2TAAR1MAOASLC6A4SLC6A3
Hydrochloric Acid SCHEMBL4524323 0.81 KDM4E (0.59) SLC6A2TAAR1MAOASLC6A4SLC6A3
Water SCHEMBL11513174 0.81 KDM4E (0.59) SLC6A2TAAR1MAOASLC6A4SLC6A3

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 7 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-20230151043-A1 COMPOUNDS AND METHODS FOR TREATMENT OF VIRAL INFECTIONS GILEAD SCIENCES, INC. 2023-05-18 US disclosed
US-20230002389-A1 ADENINE ANALOGS, PRODRUGS, DERIVATIVES, COMPOSITIONS AND USES THEREOF PADIA JANAK KHIMCHAND (US) 2023-01-05 US disclosed
US-9376430-B2 Broad spectrum benzothiophene-nitrothiazolide and other antimicrobials UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2016-06-28 US disclosed
US-9333193-B2 Compositions and methods for treating tuberculosis UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2016-05-10 US disclosed
US-8835644-B2 Broad spectrum benzothiophene-nitrothiazolide and other antimicrobials UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2014-09-16 US disclosed
US-20120010187-A1 BROAD SPECTRUM BENZOTHIOPHENE-NITROTHIAZOLIDE AND OTHER ANTIMICROBIALS UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2012-01-12 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 (4 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-20230002389-A1 ADENINE ANALOGS, PRODRUGS, DERIVATIVES, COMPOSITIONS AND USES THEREOF APRT, HPRT1, NUDT1 SLC6A2 336/4885TAAR1 2512/4885MAOA 611/4885
US-11814406-B2 Compounds and methods for treatment of viral infections HAVCR2, EIF2AK2, ACE SLC6A2 3311/4885TAAR1 4725/4885MAOA 2103/4885
US-20230151043-A1 COMPOUNDS AND METHODS FOR TREATMENT OF VIRAL INFECTIONS HAVCR2, EIF2AK2, ACE SLC6A2 3311/4885TAAR1 4725/4885MAOA 2103/4885
US-20120010187-A1 BROAD SPECTRUM BENZOTHIOPHENE-NITROTHIAZOLIDE AND OTHER ANTIMICROBIALS NMT1, MLEC, EPN1 SLC6A2 784/4885TAAR1 3355/4885MAOA 1220/4885

“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.