SCHEMBL1921313

SCHEMBL1921313

O=C(ONC1CCN(Cc2ccccc2F)CC1)C(F)(F)F

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 5/20 0.58
DCUN1D1 Q96GG9 1/20 0.53
KMT2A Q03164 2/20 0.49
ALDH1A1 P00352 4/20 0.47
KDM4E B2RXH2 3/20 0.47
OPRK1 P41145 1/20 0.47
POLB P06746 1/20 0.47
ATM Q13315 2/20 0.47
MEN1 O00255 1/20 0.46
CACNA1G O43497 1/20 0.46
MCHR1 Q99705 1/20 0.46
LMNA P02545 1/20 0.45
HTT P42858 1/20 0.45

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 0.81 SIGMAR1 (0.55) SIGMAR1DCUN1D1MCHR1
SCHEMBL1921568 0.79 SIGMAR1 (0.60) SIGMAR1DCUN1D1KMT2AALDH1A1POLB
SCHEMBL1921353 0.78 MCHR1 (0.59) SIGMAR1MCHR1
SCHEMBL1920596 0.78 TEAD1 (0.54) SIGMAR1DCUN1D1KMT2AMEN1MCHR1
SCHEMBL12533621 0.78 SIGMAR1 (0.63) SIGMAR1DCUN1D1KMT2AALDH1A1KDM4E
SCHEMBL1920906 0.77 SCN1A (0.42) SIGMAR1KMT2AMEN1
SCHEMBL1920778 0.75 ACHE (0.58) ALDH1A1
SCHEMBL1921477 0.75 SIGMAR1 (0.57) SIGMAR1KMT2AALDH1A1POLBMEN1
Trifluoroacetic Acid SCHEMBL1921312 0.75 SIGMAR1 (0.56) SIGMAR1DCUN1D1KMT2AALDH1A1KDM4E
SCHEMBL28365128 0.74 SIGMAR1 (0.60) SIGMAR1DCUN1D1KMT2AALDH1A1KDM4E

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 1187/4885DCUN1D1 1527/4885KMT2A 3770/4885

“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.