SCHEMBL1921490

SCHEMBL1921490

CC(C)(C)N(C(=O)O)C1CCN(Cc2cccc(F)c2)CC1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 4/20 0.56
▸ KMT2A Q03164 2/20 0.53
▸ MEN1 O00255 1/20 0.53
▸ ACHE P22303 1/20 0.53
▸ CCR3 P51677 1/20 0.51
▸ UBE2M P61081 1/20 0.50
▸ DCUN1D1 Q96GG9 1/20 0.50
▸ ALDH1A1 P00352 3/20 0.49
▸ CACNA1G O43497 1/20 0.49
▸ OPRM1 P35372 1/20 0.49
▸ CYP2D6 P10635 1/20 0.49
▸ CYP2C9 P11712 1/20 0.49
▸ ALOX15 P16050 1/20 0.49
▸ TSHR P16473 1/20 0.49
▸ CYP2C19 P33261 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ CCR5 P51681 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
SCHEMBL1306000 0.86 OPRM1 (0.61) SIGMAR1ACHEOPRM1
SCHEMBL5672524 0.85 SIGMAR1 (0.50) SIGMAR1ACHECCR3UBE2MDCUN1D1
SCHEMBL1062230 0.82 OPRM1 (0.56) SIGMAR1ACHEALDH1A1OPRM1
SCHEMBL4125301 0.81 ACHE (0.57) SIGMAR1KMT2AMEN1ACHECCR3
SCHEMBL1207106 0.80 OPRM1 (0.54) SIGMAR1ACHEALDH1A1OPRM1SMN1; SMN2
SCHEMBL1307812 0.79 OPRM1 (0.55) SIGMAR1ACHEALDH1A1OPRM1
SCHEMBL1921304 0.79 SIGMAR1 (0.53) SIGMAR1KMT2AMEN1DCUN1D1ALDH1A1
SCHEMBL1519149 0.77 SIGMAR1 (0.65) SIGMAR1KMT2AMEN1ALDH1A1CACNA1G
SCHEMBL2796219 0.77 UBE2M (0.54) SIGMAR1KMT2AMEN1ACHEUBE2M
SCHEMBL4128465 0.77 SIGMAR1 (0.55) SIGMAR1KMT2AMEN1UBE2MDCUN1D1

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 1187/4885KMT2A 3770/4885MEN1 2833/4885

“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.

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