SCHEMBL5227740

SCHEMBL5227740

COC(C)OC.O=C1CCN(c2nc3ccccc3n2Cc2ccc(F)cc2)CC1

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ HTR3A P46098 2/20 0.61
▸ HRH1 P35367 17/20 0.59
▸ CYP2D6 P10635 15/20 0.59
▸ KCNH2 Q12809 9/20 0.59
▸ CHRM1 P11229 6/20 0.59
▸ ADRA2A P08913 1/20 0.53
▸ HTR2B P41595 1/20 0.53
▸ PDE4D Q08499 1/20 0.53
▸ PDE3A Q14432 1/20 0.53
▸ CYP3A4 P08684 1/20 0.52

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
SCHEMBL5227691 0.91 HTR3A (0.72) HTR3AHRH1CYP2D6KCNH2CHRM1
SCHEMBL5230547 0.81 HTR3A (0.68) HTR3AHRH1CYP2D6KCNH2CHRM1
SCHEMBL14198327 0.79 HTR3A (0.71) HTR3AHRH1CYP2D6KCNH2CHRM1
SCHEMBL5227745 0.78 HTR3A (0.67) HTR3AHRH1CYP2D6KCNH2CHRM1
SCHEMBL7431298 0.76 HTR3A (1.00) HTR3AHRH1CYP2D6KCNH2CHRM1
SCHEMBL5229655 0.75 HRH1 (0.73) HTR3AHRH1CYP2D6KCNH2CHRM1
SCHEMBL10337972 0.75 HRH1 (0.73) HTR3AHRH1CYP2D6KCNH2CHRM1
SCHEMBL5226378 0.75 HRH1 (1.00) HTR3AHRH1CYP2D6KCNH2CHRM1
SCHEMBL31553435 0.75 HRH1 (1.00) HTR3AHRH1CYP2D6KCNH2CHRM1
SCHEMBL10464589 0.75 HRH1 (0.69) HTR3AHRH1CYP2D6KCNH2CHRM1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1564212-B1 PROCESS AND INTERMEDIATES FOR OBTAINING 1-(1H-BENZIMIDAZOL-2-YL)-4-(PYRIMIDIN-2-YLAMINO)PIPERIDINE DERIVATIVES RAGACTIVES SL (ES) 2007-12-12 — — EP claimed
US-20050228006-A1 Process and intermediates for obtaining 1-(1H-benzimidazol-2-YL)-4-(2-aminopyrimidine)piperidine derivatives RAGACTIVES, S.L. 2005-10-13 — — US claimed
EP-1564212-A1 METHOD AND INTERMEDIA USED TO OBTAIN DERIVATIVES OF 1-(1H- BENZIMIDAZOLE-2-YL)-4-(2-AMINOPYRIMIDINE)PIPERIDINE Ragactives, S.L. (ES) 2005-08-17 — — EP claimed
US-20050228006-A1 Process and intermediates for obtaining 1-(1H-benzimidazol-2-YL)-4-(2-aminopyrimidine)piperidine derivatives RAGACTIVES, S.L. 2005-10-13 — — US disclosed
EP-1564212-A1 METHOD AND INTERMEDIA USED TO OBTAIN DERIVATIVES OF 1-(1H- BENZIMIDAZOLE-2-YL)-4-(2-AMINOPYRIMIDINE)PIPERIDINE Ragactives, S.L. (ES) 2005-08-17 — — EP 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-20050228006-A1 Process and intermediates for obtaining 1-(1H-benzimidazol-2-YL)-4-(2-aminopyrimidine)piperidine derivatives IL2, IL4, IL4I1 HTR3A 921/4885HRH1 37/4885CYP2D6 177/4885

“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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