SCHEMBL27084872

SCHEMBL27084872

CC(=O)NCCc1c[nH]c2cc(OC3OC(C)C(O)C(O)C3O)ccc12

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MTNR1A P48039 13/20 0.62
▸ MTNR1B P49286 13/20 0.62
▸ CYP1A2 P05177 5/20 0.52
▸ HPGD P15428 4/20 0.52
▸ MEN1 O00255 4/20 0.52
▸ KMT2A Q03164 4/20 0.52
▸ CYP3A4 P08684 4/20 0.52
▸ CYP2D6 P10635 4/20 0.52
▸ BLM P54132 3/20 0.52
▸ KDM4E B2RXH2 3/20 0.52
▸ NOTUM Q6P988 3/20 0.52
▸ HTR2B P41595 3/20 0.52
▸ HSD17B10 Q99714 2/20 0.52
▸ ALDH1A1 P00352 2/20 0.52
▸ CYP1A1 P04798 1/20 0.52
▸ MPO P05164 1/20 0.52
▸ HTR1A P08908 1/20 0.52
▸ NQO2 P16083 1/20 0.52
▸ RAB9A P51151 1/20 0.52
▸ PMP22 Q01453 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
SCHEMBL30630322 0.92 MTNR1A (0.62) MTNR1AMTNR1BCYP1A2HPGDMEN1
SCHEMBL27085225 0.92 MTNR1A (0.62) MTNR1AMTNR1BCYP1A2HPGDMEN1
SCHEMBL27085124 0.89 MTNR1A (0.60) MTNR1AMTNR1BCYP1A2HPGDMEN1
SCHEMBL23181279 0.85 MTNR1A (0.64) MTNR1AMTNR1BCYP1A2HPGDMEN1
SCHEMBL27085239 0.82 HTR6 (0.58) MTNR1AMTNR1BCYP1A2KMT2ACYP2D6
SCHEMBL25101193 0.81 MTNR1A (0.60) MTNR1AMTNR1BCYP1A2HPGDMEN1
SCHEMBL30295239 0.81 MTNR1A (0.60) MTNR1AMTNR1BCYP1A2HPGDMEN1
SCHEMBL25101135 0.81 MTNR1A (0.60) MTNR1AMTNR1BCYP1A2HPGDMEN1
SCHEMBL30295385 0.81 MTNR1A (0.60) MTNR1AMTNR1BCYP1A2HPGDMEN1
SCHEMBL27085139 0.81 MTNR1A (0.60) MTNR1AMTNR1BCYP1A2HPGDMEN1

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-20240043382-A1 MODIFIED INDOLE ALKALOIDS FOR THERAPEUTIC USES COMPASS PATHFINDER LIMITED (GB) 2024-02-08 — — 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-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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