SCHEMBL4868629

SCHEMBL4868629

O=C(NC1CCN(c2ccccc2)CC1)N1CCCOc2cc(F)ccc21

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.45
DGAT1 O75907 2/20 0.43
AGTR2 P50052 1/20 0.43
TSHR P16473 1/20 0.42
KCNQ2 O43526 1/20 0.40
CCR3 P51677 1/20 0.40
EPHX2 P34913 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ACHE P22303 1/20 0.39
MAPT P10636 2/20 0.39
CHRM4 P08173 1/20 0.38
NPY5R Q15761 1/20 0.38
ME3 Q16798 1/20 0.38
USP30 Q70CQ3 1/20 0.38

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
SCHEMBL4871265 0.87 SMN1; SMN2 (0.50) SMN1; SMN2TSHREPHX2NPC1RAB9A
SCHEMBL4871829 0.82 TSHR (0.54) SMN1; SMN2AGTR2TSHRCCR3EPHX2
SCHEMBL4870649 0.73 TSHR (0.65) SMN1; SMN2TSHRNPC1RAB9AMEN1
SCHEMBL4868028 0.73 TSHR (0.61) SMN1; SMN2TSHRNPC1RAB9AMEN1
SCHEMBL4871254 0.72 TSHR (0.71) SMN1; SMN2TSHRNPC1RAB9AMEN1
SCHEMBL4866045 0.72 KMT2A (0.50) DGAT1TSHRKCNQ2NPC1MEN1
SCHEMBL4869590 0.72 KCNQ2 (0.45) AGTR2KCNQ2MAPT
SCHEMBL25937553 0.71 KCNQ2 (0.45) DGAT1AGTR2TSHRKCNQ2MAPT
SCHEMBL25333702 0.70 KCNQ2 (0.47) DGAT1AGTR2TSHRKCNQ2NPC1
SCHEMBL4870612 0.70 KCNQ2 (0.43) SMN1; SMN2DGAT1TSHRKCNQ2EPHX2

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-7368444-B2 N-carbamoyl nitrogen-containing fused ring compounds and drugs containing these compounds as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2008-05-06 US disclosed
US-20050101600-A1 N-carbamoyl nitrogen-containing fused ring compounds and drugs containing these compounds as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2005-05-12 US disclosed
EP-1475368-A1 N-CARBAMOYL NITROGEN-CONTAINING FUSED RING COMPOUNDS AND DRUGS CONTAINING THESE COMPOUNDS AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2004-11-10 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-20050101600-A1 N-carbamoyl nitrogen-containing fused ring compounds and drugs containing these compounds as the active ingredient CNR1, CNR2, NPSR1 SMN1; SMN2 2595/4885DGAT1 3333/4885AGTR2 249/4885

“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.