SCHEMBL8092360

SCHEMBL8092360

CC(N)Cc1cccc(F)c1F

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 3/20 0.47
TAAR1 Q96RJ0 2/20 0.47
SLC6A4 P31645 2/20 0.47
SLC6A3 Q01959 2/20 0.47
MAOA P21397 1/20 0.47
SIGMAR1 Q99720 1/20 0.47
CYP2A6 P11509 1/20 0.47
ADORA2A P29274 1/20 0.47
ADORA1 P30542 1/20 0.47
DPP4 P27487 1/20 0.42
HTR2A P28223 3/20 0.41
HTR2C P28335 3/20 0.41
HTR2B P41595 2/20 0.41
PNMT P11086 1/20 0.40
SOS2 Q07890 1/20 0.40
ADRB1 P08588 1/20 0.40
HTR1A P08908 1/20 0.40
ADRA2A P08913 1/20 0.40
HTR1D P28221 1/20 0.40
HTR1B P28222 1/20 0.40

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
SCHEMBL8252287 0.83 GABRA1 (0.54) TAAR1DPP4
SCHEMBL14478267 0.83 TAAR1 (0.50) SLC6A2TAAR1SLC6A4SLC6A3MAOA
SCHEMBL3238216 0.83 TAAR1 (0.50) SLC6A2TAAR1SLC6A4SLC6A3MAOA
SCHEMBL2563200 0.83 TAAR1 (0.50) SLC6A2TAAR1SLC6A4SLC6A3MAOA
SCHEMBL29687549 0.83 TAAR1 (0.50) SLC6A2TAAR1SLC6A4SLC6A3MAOA
SCHEMBL13692395 0.82 SLC6A2 (0.45) SLC6A2TAAR1SLC6A4SLC6A3MAOA
SCHEMBL8977117 0.82 SLC6A2 (0.45) SLC6A2TAAR1SLC6A4SLC6A3MAOA
Ammonia Solution, Strong SCHEMBL23035478 0.82 TAAR1 (0.48) SLC6A2TAAR1SLC6A4SLC6A3MAOA
SCHEMBL455108 0.82 SLC6A2 (0.41) SLC6A2TAAR1SLC6A4SLC6A3MAOA
Hydrochloric Acid SCHEMBL23524430 0.82 IDO1 (0.48) SLC6A2TAAR1SLC6A4SLC6A3MAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10000555-B2 Monomethylvaline compounds having phenylalanine side-chain modification at the C-terminus SEATTLE GENETICS, INC. (US) 2018-06-19 US disclosed
US-20130123465-A1 MONOMETHYLVALINE COMPOUNDS HAVING PHENYLALANINE SIDE-CHAIN MODIFICATIONS AT THE C-TERMINUS SEATTLE GENETICS, INC. (US) 2013-05-16 US disclosed
US-8343928-B2 Monomethylvaline compounds having phenylalanine side-chain replacements at the C-terminus SEATTLE GENETICS, INC. (US) 2013-01-01 US disclosed
US-6057371-A TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS, GASTROINTESTINAL DISORDERS, DRUG ABUSE, ANGINA, MIGRAINE, HYPERTENSION AND DEPRESSION VIRGINIA COMMONWEALTH UNIVERSITY (US) 2000-05-02 US disclosed
WO-1991009594-A1 SIGMA RECEPTOR LIGANDS AND THE USE THEREOF VIRGINIA COMMONWEALTH UNIVERSITY (US) 1991-07-11 WO disclosed
US-4234515-A Preparation of N,N-difluoroamines RESEARCH INSTITUTE FOR MEDICINE & CHEMISTRY INC. (US) 1980-11-18 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 (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-20130123465-A1 MONOMETHYLVALINE COMPOUNDS HAVING PHENYLALANINE SIDE-CHAIN MODIFICATIONS AT THE C-TERMINUS MMAB, PTMS, DNPEP SLC6A2 3436/4885TAAR1 4174/4885SLC6A4 3408/4885
US-10000555-B2 Monomethylvaline compounds having phenylalanine side-chain modification at the C-terminus PTMS, MMAB, DNPEP SLC6A2 3422/4885TAAR1 4189/4885SLC6A4 3371/4885

“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.