SCHEMBL1921477

SCHEMBL1921477

COc1ccc(CN2CCC(NOC(=O)C(F)(F)F)CC2)cc1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.57
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
DRD4 P21917 2/20 0.53
MCHR1 Q99705 5/20 0.52
HRH3 Q9Y5N1 1/20 0.52
CCR3 P51677 1/20 0.51
CACNA1G O43497 1/20 0.48
POLB P06746 1/20 0.48
PKM P14618 1/20 0.48
CCR2 P41597 1/20 0.48
KCNH2 Q12809 1/20 0.48
ALDH1A1 P00352 1/20 0.47
SMN1; SMN2 Q16637 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
SCHEMBL1920778 0.88 ACHE (0.58) DRD4CCR2ALDH1A1
SCHEMBL1920767 0.87 SIGMAR1 (0.55) SIGMAR1DRD4MCHR1CCR3
SCHEMBL1920596 0.87 TEAD1 (0.54) SIGMAR1MEN1KMT2ADRD4MCHR1
SCHEMBL1921353 0.82 MCHR1 (0.59) SIGMAR1DRD4MCHR1
SCHEMBL1921568 0.78 SIGMAR1 (0.60) SIGMAR1KMT2AMCHR1CCR3CACNA1G
SCHEMBL9727102 0.78 SIGMAR1 (0.72) SIGMAR1MEN1KMT2ADRD4MCHR1
SCHEMBL7475783 0.78 SIGMAR1 (0.65) SIGMAR1MEN1KMT2ADRD4MCHR1
Trifluoroacetic Acid SCHEMBL1921476 0.77 SIGMAR1 (0.55) SIGMAR1MEN1KMT2AHRH3
SCHEMBL13202825 0.76 MEN1 (0.67) SIGMAR1MEN1KMT2ADRD4MCHR1
SCHEMBL1921313 0.75 SIGMAR1 (0.58) SIGMAR1MEN1KMT2AMCHR1CACNA1G

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 1187/4885MEN1 2833/4885KMT2A 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.