SCHEMBL16494935

SCHEMBL16494935

CCCC(CCC)(C(N)=O)c1c(C)[nH]c2ccc(OC)cc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKR1C2 P52895 1/20 0.51
▸ HTR1D P28221 2/20 0.50
▸ HTR6 P50406 2/20 0.50
▸ MTNR1A P48039 2/20 0.49
▸ MTNR1B P49286 2/20 0.49
▸ ALDH1A1 P00352 11/20 0.48
▸ KDM4E B2RXH2 8/20 0.47
▸ HPGD P15428 5/20 0.47
▸ MAPT P10636 3/20 0.47
▸ NPC1 O15118 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ MCL1 Q07820 1/20 0.46
▸ RXFP1 Q9HBX9 1/20 0.46
▸ HTR1A P08908 1/20 0.45
▸ SLC6A2 P23975 1/20 0.45
▸ HTR1E P28566 1/20 0.45
▸ HTR7 P34969 1/20 0.45
▸ HTR5A P47898 1/20 0.45
▸ HSD17B10 Q99714 5/20 0.45
▸ MEN1 O00255 2/20 0.43

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
SCHEMBL5116957 0.75 AKR1C2 (0.58) AKR1C2HTR1DHTR6MTNR1AMTNR1B
SCHEMBL11488805 0.74 HTR6 (0.58) AKR1C2HTR1DHTR6MTNR1AMTNR1B
SCHEMBL9267967 0.73 HTR1D (0.62) AKR1C2HTR1DHTR6MTNR1AMTNR1B
SCHEMBL8578417 0.73 AKR1C2 (0.55) AKR1C2HTR1DHTR6MTNR1AMTNR1B
SCHEMBL30523119 0.72 ALDH1A1 (0.65) AKR1C2HTR1DHTR6MTNR1AMTNR1B
SCHEMBL5272319 0.72 AKR1C2 (0.55) AKR1C2HTR1DHTR6MTNR1AMTNR1B
SCHEMBL4245648 0.72 AKR1C2 (0.78) AKR1C2HTR1DHTR6MTNR1AMTNR1B
SCHEMBL31543737 0.70 ALDH1A1 (0.62) AKR1C2HTR1DHTR6MTNR1AMTNR1B
SCHEMBL4720481 0.69 GAA (0.71) AKR1C2ALDH1A1KDM4EHPGDMAPT
SCHEMBL8877634 0.69 ALDH1A1 (0.61) AKR1C2HTR1DHTR6MTNR1AMTNR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2394990-A1 INDOLINE DERIVATIVES Kyoto University (JP) 2011-12-14 — — EP disclosed
US-20110294850-A1 INDOLINE DERIVATIVES TOKYO INSTITUTE OF TECHNOLOGY (JP) 2011-12-01 — — 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-20110294850-A1 INDOLINE DERIVATIVES BCHE, ACHE, INMT AKR1C2 437/4885HTR1D 476/4885HTR6 353/4885

“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.

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