SCHEMBL27085108

SCHEMBL27085108

CC(=O)NCCc1c[nH]c2c(OC(=O)CCCCC(=O)O)cccc12

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MTNR1A P48039 16/20 0.67
▸ MTNR1B P49286 15/20 0.67
▸ CYP1A2 P05177 4/20 0.50
▸ MEN1 O00255 3/20 0.50
▸ KMT2A Q03164 3/20 0.50
▸ BLM P54132 3/20 0.50
▸ LMNA P02545 2/20 0.50
▸ CYP2C19 P33261 2/20 0.50
▸ PKM P14618 1/20 0.50
▸ TSHR P16473 1/20 0.50
▸ NOTUM Q6P988 3/20 0.44
▸ CYP3A4 P08684 3/20 0.43
▸ CYP2D6 P10635 3/20 0.43
▸ HTR2B P41595 2/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ NFKB1 P19838 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ SLC6A4 P31645 1/20 0.43
▸ THPO P40225 1/20 0.43
▸ HIF1A Q16665 1/20 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
SCHEMBL27085030 0.98 MTNR1A (0.67) MTNR1AMTNR1BCYP1A2MEN1KMT2A
SCHEMBL27085136 0.94 MTNR1A (0.70) MTNR1AMTNR1BCYP1A2MEN1KMT2A
SCHEMBL27084800 0.89 MTNR1A (0.73) MTNR1AMTNR1BCYP1A2MEN1KMT2A
SCHEMBL30630331 0.89 MTNR1A (0.73) MTNR1AMTNR1BCYP1A2MEN1KMT2A
SCHEMBL27084717 0.89 MTNR1A (0.73) MTNR1AMTNR1BCYP1A2MEN1KMT2A
SCHEMBL30630303 0.86 MTNR1A (0.74) MTNR1AMTNR1BCYP1A2MEN1KMT2A
SCHEMBL27084861 0.86 MTNR1A (0.74) MTNR1AMTNR1BCYP1A2MEN1KMT2A
SCHEMBL30630316 0.84 MTNR1A (0.80) MTNR1AMTNR1BCYP1A2MEN1KMT2A
SCHEMBL27085117 0.84 MTNR1A (0.80) MTNR1AMTNR1BCYP1A2MEN1KMT2A
SCHEMBL27085153 0.84 MTNR1A (0.69) MTNR1AMTNR1BCYP1A2MEN1KMT2A

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
US-20240043382-A1 MODIFIED INDOLE ALKALOIDS FOR THERAPEUTIC USES COMPASS PATHFINDER LIMITED (GB) 2024-02-08 — — US disclosed
CN-117120415-A Modified indole alkaloids for therapeutic use 指南针探路者有限公司 2023-11-24 — — CN 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-20240043382-A1 MODIFIED INDOLE ALKALOIDS FOR THERAPEUTIC USES INMT, AANAT, HNMT MTNR1A 40/4885MTNR1B 89/4885CYP1A2 533/4885

“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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