SCHEMBL6540812

SCHEMBL6540812

COC(=O)[C@@H]1CCCCN1Cc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.60
KMT2A Q03164 1/20 0.60
LTA4H P09960 2/20 0.59
FKBP1A P62942 2/20 0.57
SMN1; SMN2 Q16637 2/20 0.56
POLB P06746 1/20 0.55
KDM4E B2RXH2 2/20 0.55
ALDH1A1 P00352 2/20 0.55
CNR2 P34972 1/20 0.54

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
SCHEMBL7181767 1.00 MEN1 (0.60) MEN1KMT2ALTA4HFKBP1ASMN1; SMN2
SCHEMBL19465330 0.96 LTA4H (0.63) MEN1KMT2ALTA4HFKBP1ASMN1; SMN2
SCHEMBL952722 0.96 LTA4H (0.63) MEN1KMT2ALTA4HFKBP1ASMN1; SMN2
SCHEMBL952721 0.96 LTA4H (0.63) MEN1KMT2ALTA4HFKBP1ASMN1; SMN2
SCHEMBL2768950 0.90 FKBP1A (0.54) MEN1KMT2ALTA4HFKBP1APOLB
SCHEMBL1627052 0.86 MEN1 (0.77) MEN1KMT2AFKBP1ASMN1; SMN2POLB
SCHEMBL13804314 0.84 CNR2 (0.57) MEN1KMT2ASMN1; SMN2POLBKDM4E
SCHEMBL14598759 0.84 CNR2 (0.57) MEN1KMT2ASMN1; SMN2POLBKDM4E
SCHEMBL14828717 0.84 CNR2 (0.57) MEN1KMT2ASMN1; SMN2POLBKDM4E
SCHEMBL3713831 0.84 SMN1; SMN2 (0.63) MEN1KMT2ASMN1; SMN2CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6787543-B2 PREPARATION OF TACHYKININ ANTAGONISTS; SUBSTITUTED NITROGEN-CONTAINING HETEROCYCLES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-09-07 US disclosed
US-20030176430-A1 Benzhydryl derivatives ASTELLAS PHARMA INC. (JP) 2003-09-18 US disclosed
EP-1294700-A2 BENZHYDRYL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-03-26 EP disclosed
WO-2002000631-A2 BENZHYDRYL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-01-03 WO 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-20030176430-A1 Benzhydryl derivatives BDKRB1, BDKRB2, TACR1 MEN1 629/4885KMT2A 2124/4885LTA4H 623/4885

“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.