SCHEMBL5577689

SCHEMBL5577689

COc1ccc(CN2CCC(c3ccc(CNC(=O)c4ccccc4)cc3)CC2)cc1OC

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 6/20 0.61
ACHE P22303 3/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
LMNA P02545 1/20 0.59
SIGMAR1 Q99720 1/20 0.55
ABCB1 P08183 2/20 0.55
BCHE P06276 1/20 0.54
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
BACE1 P56817 1/20 0.53
MCHR1 Q99705 1/20 0.53
ALDH1A1 P00352 1/20 0.53
POLB P06746 1/20 0.53
GAA P10253 1/20 0.53
NPC1 O15118 1/20 0.52
RAB9A P51151 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
SCHEMBL5577417 0.92 NR1H4 (0.58) CCR5ACHESMN1; SMN2LMNAABCB1
SCHEMBL5577594 0.91 ALDH1A1 (0.54) CCR5ACHESMN1; SMN2LMNAABCB1
SCHEMBL5577534 0.91 ALDH1A1 (0.54) CCR5ACHESMN1; SMN2LMNAABCB1
SCHEMBL5577836 0.91 TSHR (0.59) CCR5ACHESMN1; SMN2LMNABCHE
SCHEMBL5577508 0.91 DRD2 (0.58) CCR5ACHESMN1; SMN2LMNAABCB1
SCHEMBL14586598 0.90 LMNA (0.55) CCR5ACHESMN1; SMN2LMNAABCB1
SCHEMBL5577516 0.90 ALDH1A1 (0.66) CCR5ACHESMN1; SMN2LMNAABCB1
SCHEMBL5577463 0.90 MCHR1 (0.61) CCR5ACHESMN1; SMN2LMNAMEN1
SCHEMBL5577343 0.90 MEN1 (0.57) CCR5ACHESMN1; SMN2LMNAABCB1
Hydrochloric Acid SCHEMBL5577422 0.90 LMNA (0.54) CCR5ACHESMN1; SMN2LMNAABCB1

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-20070043079-A1 Heterocyclic compound containing nitrogen atom and use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2007-02-22 US disclosed
EP-1616862-A1 NITROGENOUS HETEROCYCLIC COMPOUND AND USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2006-01-18 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-20070043079-A1 Heterocyclic compound containing nitrogen atom and use thereof HLA-DRB1, MIF, HLA-C CCR5 183/4885ACHE 1504/4885SMN1; SMN2 2012/4885

“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.