SCHEMBL6697985

SCHEMBL6697985

NCC(O)COn1nnc2ccccc21

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.55
NPSR1 Q6W5P4 2/20 0.55
RXFP1 Q9HBX9 1/20 0.55
KMT2A Q03164 5/20 0.49
NPC1 O15118 4/20 0.47
RAB9A P51151 4/20 0.47
HPGD P15428 1/20 0.47
SMN1; SMN2 Q16637 4/20 0.45
CASP3 P42574 1/20 0.45
SENP8 Q96LD8 1/20 0.45
SENP7 Q9BQF6 1/20 0.45
SENP6 Q9GZR1 1/20 0.45
ALDH1A1 P00352 3/20 0.44
MAPT P10636 3/20 0.44
BRD4 O60885 1/20 0.43
POLB P06746 2/20 0.42
ALOX15 P16050 1/20 0.42
MAPK1 P28482 1/20 0.41
ATM Q13315 1/20 0.41
CYP1A2 P05177 1/20 0.41

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
SCHEMBL17103078 0.76 TSHR (0.67) TSHRNPSR1RXFP1KMT2ANPC1
SCHEMBL5497702 0.76 RAB9A (0.46) TSHRNPSR1RXFP1KMT2ANPC1
SCHEMBL17103166 0.76 TSHR (0.58) TSHRNPSR1RXFP1KMT2ANPC1
SCHEMBL14010662 0.73 TSHR (0.58) TSHRNPSR1RXFP1KMT2ANPC1
SCHEMBL11269065 0.73 TSHR (0.58) TSHRNPSR1RXFP1KMT2ANPC1
SCHEMBL23146639 0.73 TSHR (0.67) TSHRNPSR1RXFP1KMT2ANPC1
SCHEMBL4006352 0.73 TSHR (0.67) TSHRNPSR1RXFP1KMT2ANPC1
SCHEMBL14153147 0.72 NPC1 (0.53) TSHRNPSR1RXFP1KMT2ANPC1
SCHEMBL19586998 0.71 RAB9A (0.60) TSHRNPSR1RXFP1KMT2ANPC1
SCHEMBL22498386 0.71 TSHR (0.59) TSHRNPSR1RXFP1KMT2ANPC1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040186160-A1 Hexahydro-cyclohepta-pyrrole oxindole as potent kinase inhibitors SUGEN, INC. 2004-09-23 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-20040186160-A1 Hexahydro-cyclohepta-pyrrole oxindole as potent kinase inhibitors MAP3K15, MAP3K20, MAP3K19 TSHR 2444/4885NPSR1 2687/4885RXFP1 3557/4885

“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.