SCHEMBL17954064

SCHEMBL17954064

O=C(C#Cc1ccccc1)C1CCN(C(=O)c2ccccc2)CC1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 4/20 0.62
ACHE P22303 1/20 0.55
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
MGLL Q99685 2/20 0.53
HSD11B1 P28845 1/20 0.53
LMNA P02545 1/20 0.53
MAPK1 P28482 1/20 0.53
RAB9A P51151 1/20 0.53
EPHX1 P07099 1/20 0.51
L3MBTL3 Q96JM7 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
EPHX2 P34913 1/20 0.51
PTPN2 P17706 1/20 0.51
PTPN1 P18031 1/20 0.51
HPGD P15428 2/20 0.49
TSHR P16473 1/20 0.49

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
SCHEMBL17954204 0.79 LMNA (0.62) GRM5LMNAMAPK1RAB9AHPGD
SCHEMBL1673861 0.78 MAPT (0.73) ACHEMEN1KMT2AMGLLHSD11B1
SCHEMBL22300671 0.77 HPGD (0.46) GRM5MEN1KMT2ALMNARAB9A
SCHEMBL1720183 0.77 MGLL (0.82) ACHEMEN1KMT2AMGLLHSD11B1
SCHEMBL3637291 0.77 GRM5 (1.00) GRM5ACHELMNAMAPK1RAB9A
SCHEMBL11616794 0.76 ACHE (0.71) ACHEMEN1KMT2AMGLLHSD11B1
SCHEMBL9029952 0.75 SMN1; SMN2 (0.82) ACHEMEN1KMT2AMGLLHSD11B1
SCHEMBL14040630 0.75 ACHE (0.65) ACHEMEN1KMT2AMGLLHSD11B1
SCHEMBL3447241 0.75 MGLL (0.66) ACHEMEN1KMT2AMGLLHSD11B1
SCHEMBL3614803 0.75 ACHE (0.70) ACHEMEN1KMT2AMGLLHSD11B1

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
US-9776979-B2 EBI2 modulators SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2017-10-03 US disclosed
US-9776979-B2 EBI2 modulators SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2017-10-03 US disclosed
US-20160214951-A1 EBI2 MODULATORS SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE 2016-07-28 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-20160214951-A1 EBI2 MODULATORS BIRC2, HAVCR2, MAVS GRM5 744/4885ACHE 4588/4885MEN1 2201/4885

“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.