SCHEMBL1920778

SCHEMBL1920778

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

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.58
BCHE P06276 2/20 0.58
BACE1 P56817 2/20 0.58
CHRM4 P08173 5/20 0.52
ALDH1A1 P00352 1/20 0.51
TSHR P16473 1/20 0.51
DRD4 P21917 2/20 0.49
HTR2A P28223 2/20 0.49
CHRM2 P08172 2/20 0.49
CHRM1 P11229 1/20 0.49
EPHX2 P34913 1/20 0.48
TEAD1 P28347 3/20 0.48
DRD2 P14416 1/20 0.48
CCR2 P41597 1/20 0.48
LSS P48449 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
SCHEMBL1921477 0.88 SIGMAR1 (0.57) ALDH1A1DRD4CCR2
SCHEMBL1920767 0.87 SIGMAR1 (0.55) ACHEBCHEBACE1CHRM4DRD4
SCHEMBL1920596 0.87 TEAD1 (0.54) ACHEBCHEBACE1DRD4TEAD1
SCHEMBL1921353 0.82 MCHR1 (0.59) DRD4
SCHEMBL16572276 0.81 BCHE (0.61) ACHEBCHEBACE1CHRM4ALDH1A1
SCHEMBL24780094 0.79 BCHE (0.67) ACHEBCHEBACE1CHRM4ALDH1A1
SCHEMBL22732040 0.78 TEAD1 (0.73) ACHEBCHEBACE1CHRM4ALDH1A1
SCHEMBL1921568 0.78 SIGMAR1 (0.60) ALDH1A1TSHRCHRM2CHRM1
Trifluoroacetic Acid SCHEMBL1920777 0.77 BCHE (0.56) ACHEBCHEBACE1CHRM4ALDH1A1
SCHEMBL5542857 0.77 ALDH1A1 (0.64) ACHEBCHEBACE1CHRM4ALDH1A1

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 ACHE 1151/4885BCHE 3826/4885BACE1 844/4885

“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.