SCHEMBL1920767

SCHEMBL1920767

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

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 7/20 0.55
PRKAA2 P54646 1/20 0.53
MCHR1 Q99705 2/20 0.52
SLC6A12 P48065 1/20 0.52
TMEM97 Q5BJF2 1/20 0.52
UBE2M P61081 1/20 0.51
DCUN1D1 Q96GG9 1/20 0.51
BCHE P06276 1/20 0.50
ACHE P22303 1/20 0.50
BACE1 P56817 1/20 0.50
DRD3 P35462 2/20 0.49
CHRM4 P08173 1/20 0.48
DRD2 P14416 1/20 0.48
DRD4 P21917 1/20 0.48
CCR3 P51677 1/20 0.48

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
SCHEMBL1920596 0.90 TEAD1 (0.54) SIGMAR1MCHR1UBE2MDCUN1D1BCHE
SCHEMBL1920778 0.87 ACHE (0.58) BCHEACHEBACE1CHRM4DRD2
SCHEMBL1921477 0.87 SIGMAR1 (0.57) SIGMAR1MCHR1DRD4CCR3
SCHEMBL1921568 0.86 SIGMAR1 (0.60) SIGMAR1MCHR1UBE2MDCUN1D1CCR3
SCHEMBL1921353 0.82 MCHR1 (0.59) SIGMAR1MCHR1DRD4
SCHEMBL18658299 0.81 SIGMAR1 (0.65) SIGMAR1PRKAA2MCHR1SLC6A12TMEM97
SCHEMBL1921313 0.81 SIGMAR1 (0.58) SIGMAR1MCHR1DCUN1D1
SCHEMBL3351581 0.77 SIGMAR1 (0.60) SIGMAR1PRKAA2MCHR1SLC6A12TMEM97
SCHEMBL3091032 0.74 NAMPT (0.46) CCR3
SCHEMBL1920906 0.74 SCN1A (0.42) SIGMAR1

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 SIGMAR1 1187/4885PRKAA2 1917/4885MCHR1 641/4885

“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.