SCHEMBL4889595

SCHEMBL4889595

O=C1CC[C@H](c2ccccc2)CCN1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 2/20 0.57
SIGMAR1 Q99720 1/20 0.57
DDB1 Q16531 3/20 0.47
CRBN Q96SW2 3/20 0.47
SRD5A1 P18405 1/20 0.45
HPGD P15428 2/20 0.44
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
HTR6 P50406 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ESR2 Q92731 1/20 0.39
KDM4E B2RXH2 1/20 0.39
GRIN2B Q13224 1/20 0.39

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
SCHEMBL2937477 1.00 SLC18A3 (0.57) SLC18A3SIGMAR1DDB1CRBNSRD5A1
SCHEMBL1568261 0.83 SLC18A3 (0.53) SLC18A3SIGMAR1DDB1CRBNHPGD
SCHEMBL2790425 0.83 DDB1 (0.49) SLC18A3SIGMAR1DDB1CRBNSRD5A1
SCHEMBL820254 0.82 SLC18A3 (0.63) SLC18A3SIGMAR1DDB1CRBNSRD5A1
SCHEMBL7619610 0.78 SLC18A3 (0.57) SLC18A3SIGMAR1SRD5A1HPGDGAA
SCHEMBL14451372 0.77 ESR2 (0.40) DDB1CRBNGAAHTR6KMT2A
Hydrochloric Acid SCHEMBL9482318 0.76 ESR2 (0.59) SLC18A3SIGMAR1DDB1CRBNSRD5A1
SCHEMBL76840 0.76 ESR2 (0.63) SLC18A3SIGMAR1DDB1CRBNSRD5A1
SCHEMBL1198558 0.74 DDB1 (0.43) SLC18A3SIGMAR1DDB1CRBNSRD5A1
Water SCHEMBL27808263 0.74 ESR2 (0.61) SLC18A3SIGMAR1DDB1CRBNSRD5A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080312271-A1 AZABENZIMIDAZOLYL COMPOUNDS PFIZER INC. 2008-12-18 US disclosed
US-20080280933-A1 BENZIMIDAZOLYL COMPOUNDS EFREMOV IVAN 2008-11-13 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 (2 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-20080280933-A1 BENZIMIDAZOLYL COMPOUNDS PAICS, TMBIM6, ABCG2 SLC18A3 1341/4885SIGMAR1 2856/4885DDB1 4835/4885
US-20080312271-A1 AZABENZIMIDAZOLYL COMPOUNDS AZI2, PAICS, UGT2B7 SLC18A3 1289/4885SIGMAR1 2853/4885DDB1 4222/4885

“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.