SCHEMBL27084722

SCHEMBL27084722

CCCN(CCC)CCc1c[nH]c2cc(OC3OC(C)C(O)C(O)C3O)ccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR1D P28221 4/20 0.46
▸ HTR1A P08908 3/20 0.44
▸ HTR6 P50406 1/20 0.44
▸ BCHE P06276 2/20 0.43
▸ HTR1B P28222 1/20 0.43
▸ CA12 O43570 1/20 0.43
▸ CA9 Q16790 1/20 0.43
▸ HTR2A P28223 5/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ ACHE P22303 1/20 0.41
▸ NR1H3 Q13133 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ GLA P06280 1/20 0.39
▸ THRB P10828 1/20 0.39
▸ PMP22 Q01453 1/20 0.39
▸ HTR2C P28335 1/20 0.38

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
SCHEMBL27084890 0.96 HTR2A (0.48) HTR1DHTR1AHTR6BCHEHTR1B
SCHEMBL27084710 0.93 HTR1A (0.53) HTR1DHTR1AHTR6BCHEHTR1B
SCHEMBL27084794 0.92 HTR1D (0.54) HTR1DHTR1AHTR6BCHEHTR1B
SCHEMBL27085239 0.89 HTR6 (0.58) HTR1DHTR1AHTR6HTR1BCA12
SCHEMBL27085221 0.89 HTR2A (0.55) HTR1DHTR1AHTR6HTR1BHTR2A
SCHEMBL27084965 0.89 TYR (0.50) HTR1DCA12CA9
SCHEMBL27085096 0.88 HTR6 (0.47) HTR1DHTR1AHTR6BCHEHTR1B
SCHEMBL27085260 0.88 HTR1A (0.52) HTR1DHTR1AHTR6BCHEHTR1B
SCHEMBL27084915 0.87 HTR1A (0.47) HTR1DHTR1AHTR6BCHEHTR1B
SCHEMBL27085191 0.86 HTR6 (0.44) HTR1DHTR1AHTR6BCHEHTR1B

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 HTR1D 664/4885HTR1A 181/4885HTR6 57/4885

“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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