SCHEMBL1920596

SCHEMBL1920596

O=C(ONC1CCN(Cc2ccc(Cl)cc2)CC1)C(F)(F)F

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TEAD1 P28347 2/20 0.54
SIGMAR1 Q99720 3/20 0.53
UBE2M P61081 1/20 0.51
DCUN1D1 Q96GG9 1/20 0.51
MEN1 O00255 1/20 0.48
BCHE P06276 1/20 0.48
ACHE P22303 1/20 0.48
BACE1 P56817 1/20 0.48
KMT2A Q03164 1/20 0.48
DRD4 P21917 2/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
PLA2G7 Q13093 1/20 0.47
MGLL Q99685 1/20 0.47
ABHD6 Q9BV23 1/20 0.47
CXCR3 P49682 2/20 0.47
MCHR1 Q99705 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
SCHEMBL1920767 0.90 SIGMAR1 (0.55) SIGMAR1UBE2MDCUN1D1BCHEACHE
SCHEMBL1921477 0.87 SIGMAR1 (0.57) SIGMAR1MEN1KMT2ADRD4MCHR1
SCHEMBL1920778 0.87 ACHE (0.58) TEAD1BCHEACHEBACE1DRD4
SCHEMBL1921353 0.82 MCHR1 (0.59) SIGMAR1DRD4MCHR1
SCHEMBL1921568 0.81 SIGMAR1 (0.60) SIGMAR1UBE2MDCUN1D1KMT2AMCHR1
SCHEMBL1921313 0.78 SIGMAR1 (0.58) SIGMAR1DCUN1D1MEN1KMT2AMCHR1
SCHEMBL3590338 0.74 SIGMAR1 (0.73) TEAD1SIGMAR1MEN1BCHEACHE
SCHEMBL1920906 0.74 SCN1A (0.42) SIGMAR1MEN1KMT2A
Trifluoroacetic Acid SCHEMBL1920595 0.74 ARG1 (0.52) TEAD1SIGMAR1MEN1KMT2ADRD4
SCHEMBL4214471 0.73 TEAD1 (0.73) TEAD1SIGMAR1UBE2MDCUN1D1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1622914-B1 NEW PIPERIDINYLAMINO-THIENO[2,3-D] PYRIMIDINE COMPOUNDS TROVIS PHARMACEUTICALS LLC (US) 2011-06-01 EP disclosed
US-7030240-B2 5-HT receptor antagonist; [1-(2-Fluoro-benzyl)-piperidin-4-yl]-(5,6,7,8-tetrahydro-benzo[4,5]thieno[2,3-d]pyrimidin-4-yl)-amine; treating vascular disorders, angina, migraine, pulmonary hypertension and systemic hypertension PREDIX PHARMACEUTICALS HOLDINGS, INC. (US) 2006-04-18 US disclosed
US-20040248904-A1 New piperidinylamino-thieno[2,3-d] pyrimidine compounds TROVIS PHARMACEUTICALS, LLC 2004-12-09 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 (1 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-20040248904-A1 New piperidinylamino-thieno[2,3-d] pyrimidine compounds HTR5A, HTR2C, HTR1A TEAD1 2717/4885SIGMAR1 1187/4885UBE2M 4672/4885

“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.