SCHEMBL4863867

SCHEMBL4863867

O=C(NC1CCCCCC1)N1CCCCc2ccccc21

nearest known ligand 0.95

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.95
SMN1; SMN2 Q16637 2/20 0.85
NPC1 O15118 1/20 0.85
RAB9A P51151 1/20 0.85
MEN1 O00255 1/20 0.65
KMT2A Q03164 1/20 0.65
POLB P06746 3/20 0.63
CHRM2 P08172 2/20 0.59
CHRM4 P08173 2/20 0.59
CHRM1 P11229 2/20 0.59
CHRM3 P20309 2/20 0.59
KDM4E B2RXH2 1/20 0.57
ALDH1A1 P00352 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
RECQL P46063 1/20 0.56
NOTUM Q6P988 1/20 0.55
P2RX1 P51575 1/20 0.52
P2RX3 P56373 1/20 0.52
P2RX4 Q99571 1/20 0.52
P2RX7 Q99572 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
SCHEMBL4870617 1.00 TSHR (0.95) TSHRSMN1; SMN2NPC1RAB9AMEN1
SCHEMBL4869603 1.00 TSHR (0.95) TSHRSMN1; SMN2NPC1RAB9AMEN1
SCHEMBL4871280 0.99 TSHR (0.92) TSHRSMN1; SMN2NPC1RAB9AMEN1
SCHEMBL1865726 0.92 SMN1; SMN2 (1.00) TSHRSMN1; SMN2NPC1RAB9AMEN1
SCHEMBL1863598 0.92 SMN1; SMN2 (1.00) TSHRSMN1; SMN2NPC1RAB9AMEN1
SCHEMBL4869962 0.88 TSHR (0.74) TSHRSMN1; SMN2NPC1RAB9AMEN1
SCHEMBL4871254 0.86 TSHR (0.71) TSHRSMN1; SMN2NPC1RAB9AMEN1
SCHEMBL4870436 0.86 TSHR (0.71) TSHRSMN1; SMN2NPC1RAB9AMEN1
SCHEMBL4866989 0.86 TSHR (0.71) TSHRSMN1; SMN2NPC1RAB9AMEN1
SCHEMBL4867001 0.86 TSHR (0.71) TSHRSMN1; SMN2NPC1RAB9AMEN1

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-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 claimed
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 TSHR 261/4885SMN1; SMN2 2595/4885NPC1 630/4885

“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.