SCHEMBL1921353

SCHEMBL1921353

O=C(ONC1CCN(Cc2ccc3ccccc3c2)CC1)C(F)(F)F

nearest known ligand 0.59

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 14/20 0.59
SIGMAR1 Q99720 2/20 0.59
DRD4 P21917 2/20 0.55

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
SCHEMBL1921568 0.83 SIGMAR1 (0.60) MCHR1SIGMAR1
SCHEMBL1920596 0.82 TEAD1 (0.54) MCHR1SIGMAR1DRD4
SCHEMBL1920767 0.82 SIGMAR1 (0.55) MCHR1SIGMAR1DRD4
SCHEMBL1921477 0.82 SIGMAR1 (0.57) MCHR1SIGMAR1DRD4
SCHEMBL1920778 0.82 ACHE (0.58) DRD4
SCHEMBL1921313 0.78 SIGMAR1 (0.58) MCHR1SIGMAR1
SCHEMBL4117894 0.78 MCHR1 (0.65) MCHR1SIGMAR1DRD4
SCHEMBL4762592 0.77 MCHR1 (0.80) MCHR1SIGMAR1DRD4
Trifluoroacetic Acid SCHEMBL1921350 0.77 MCHR1 (0.58) MCHR1SIGMAR1
SCHEMBL9592011 0.76 MCHR1 (0.74) MCHR1SIGMAR1DRD4

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 MCHR1 641/4885SIGMAR1 1187/4885DRD4 103/4885

“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.