SCHEMBL1920906

SCHEMBL1920906

O=C(ONC1CCN(CC(c2ccccc2)c2ccccc2)CC1)C(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SCN1A P35498 3/20 0.42
SCN5A Q14524 3/20 0.42
SCN9A Q15858 3/20 0.42
CCR1 P32246 1/20 0.40
SIGMAR1 Q99720 3/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
TSHR P16473 1/20 0.38
SLC6A2 P23975 2/20 0.38
SLC6A4 P31645 2/20 0.38
SLC6A3 Q01959 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
OPRM1 P35372 1/20 0.38

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
SCHEMBL1921313 0.77 SIGMAR1 (0.58) SIGMAR1MEN1KMT2A
Trifluoroacetic Acid SCHEMBL1920904 0.76 DPP4 (0.47) MEN1KMT2ASLC6A2SLC6A4SLC6A3
SCHEMBL1921353 0.74 MCHR1 (0.59) SIGMAR1
SCHEMBL1920767 0.74 SIGMAR1 (0.55) SIGMAR1
SCHEMBL1920596 0.74 TEAD1 (0.54) SIGMAR1MEN1KMT2A
SCHEMBL9594799 0.74 LTA4H (0.52) CCR1SIGMAR1KMT2A
SCHEMBL1921568 0.73 SIGMAR1 (0.60) SIGMAR1KMT2ATSHR
SCHEMBL28249232 0.73 HRH3 (0.33) SCN1ASCN5ASCN9A
SCHEMBL6080067 0.71 CCR5 (0.56) KMT2AL3MBTL1
SCHEMBL6080372 0.71 CCR5 (0.56) KMT2AL3MBTL1

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 SCN1A 1057/4885SCN5A 339/4885SCN9A 863/4885

“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.