SCHEMBL4868650

SCHEMBL4868650

O=C(NC1CCN(c2ccccc2)C1)N1CCCCc2ccccc21

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.66
SMN1; SMN2 Q16637 2/20 0.59
NPC1 O15118 1/20 0.59
RAB9A P51151 1/20 0.59
POLB P06746 3/20 0.53
RECQL P46063 1/20 0.53
AVPR2 P30518 4/20 0.52
NOTUM Q6P988 1/20 0.48
NAMPT P43490 1/20 0.47
AVPR1A P37288 2/20 0.47
OXTR P30559 1/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
MAPT P10636 1/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
PKM P14618 1/20 0.46
HTT P42858 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46

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
SCHEMBL4871254 0.94 TSHR (0.71) TSHRSMN1; SMN2NPC1RAB9APOLB
SCHEMBL4870649 0.85 TSHR (0.65) TSHRSMN1; SMN2NPC1RAB9APOLB
SCHEMBL4871280 0.84 TSHR (0.92) TSHRSMN1; SMN2NPC1RAB9APOLB
SCHEMBL4868028 0.83 TSHR (0.61) TSHRSMN1; SMN2NPC1RAB9APOLB
SCHEMBL4871897 0.83 MAPT (0.63) TSHRSMN1; SMN2NPC1RAB9AAVPR2
SCHEMBL4871766 0.83 TSHR (0.68) TSHRSMN1; SMN2NPC1RAB9APOLB
SCHEMBL4870617 0.83 TSHR (0.95) TSHRSMN1; SMN2NPC1RAB9APOLB
SCHEMBL4863867 0.83 TSHR (0.95) TSHRSMN1; SMN2NPC1RAB9APOLB
SCHEMBL4869603 0.83 TSHR (0.95) TSHRSMN1; SMN2NPC1RAB9APOLB
SCHEMBL4871829 0.81 TSHR (0.54) TSHRSMN1; SMN2NPC1RAB9AAVPR2

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 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.