SCHEMBL27084890

SCHEMBL27084890

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

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 3/20 0.48
▸ HTR1A P08908 5/20 0.47
▸ HTR6 P50406 2/20 0.43
▸ HTR1D P28221 7/20 0.42
▸ CA12 O43570 1/20 0.42
▸ CA9 Q16790 1/20 0.42
▸ BCHE P06276 1/20 0.41
▸ MPO P05164 1/20 0.40
▸ HTR1B P28222 2/20 0.40
▸ CYP1A2 P05177 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ NR1H3 Q13133 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
SCHEMBL27084722 0.96 HTR1D (0.46) HTR2AHTR1AHTR6HTR1DCA12
SCHEMBL27084710 0.95 HTR1A (0.53) HTR2AHTR1AHTR6HTR1DCA12
SCHEMBL27085221 0.93 HTR2A (0.55) HTR2AHTR1AHTR6HTR1DMPO
SCHEMBL27084915 0.89 HTR1A (0.47) HTR2AHTR1AHTR6HTR1DCA12
SCHEMBL27084715 0.89 TYR (0.48) HTR2AHTR1ACA12CA9
SCHEMBL27084794 0.89 HTR1D (0.54) HTR2AHTR1AHTR6HTR1DBCHE
SCHEMBL27085096 0.89 HTR6 (0.47) HTR2AHTR1AHTR6HTR1DCA12
SCHEMBL27084908 0.87 HTR1A (0.59) HTR2AHTR1AHTR6HTR1DMPO
SCHEMBL27085239 0.87 HTR6 (0.58) HTR2AHTR1AHTR6HTR1DCA12
SCHEMBL27084696 0.87 HTR6 (0.43) HTR2AHTR1AHTR6HTR1DCA12

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 HTR2A 53/4885HTR1A 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.

Send feedback