SCHEMBL29664957

SCHEMBL29664957

c1ccc2c3c([nH]c2c1)[C@@H]1C[C@@H]2CCCC[C@H]2CN1CC3

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.62
CYP2D6 P10635 8/20 0.61
HSD17B10 Q99714 4/20 0.61
ADRA2C P18825 4/20 0.61
TOP1 P11387 2/20 0.61
ADRA1A P35348 5/20 0.60
ADRA2A P08913 4/20 0.60
MEN1 O00255 3/20 0.60
CYP1A2 P05177 3/20 0.60
TSHR P16473 3/20 0.60
KMT2A Q03164 3/20 0.60
KDM4E B2RXH2 2/20 0.60
ALOX15 P16050 2/20 0.60
HIF1A Q16665 2/20 0.60
USP2 O75604 1/20 0.60
TDP1 Q9NUW8 1/20 0.60
ADRA1D P25100 4/20 0.57
ADRA1B P35368 4/20 0.57
CYP3A4 P08684 3/20 0.57
ADRA2B P18089 3/20 0.57

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
SCHEMBL29376699 1.00 CHRNA7 (0.62) CHRNA7CYP2D6HSD17B10ADRA2CTOP1
SCHEMBL21307810 1.00 CHRNA7 (0.62) CHRNA7CYP2D6HSD17B10ADRA2CTOP1
SCHEMBL1538791 1.00 CHRNA7 (0.62) CHRNA7CYP2D6HSD17B10ADRA2CTOP1
SCHEMBL2362454 1.00 CHRNA7 (0.62) CHRNA7CYP2D6HSD17B10ADRA2CTOP1
SCHEMBL24240060 0.99 CHRNA7 (0.61) CHRNA7CYP2D6HSD17B10ADRA2CTOP1
SCHEMBL24240057 0.86 CYP2D6 (0.65) CYP2D6HSD17B10ADRA2CTOP1ADRA1A
SCHEMBL20460264 0.86 CYP2D6 (0.65) CYP2D6HSD17B10ADRA2CTOP1ADRA1A
SCHEMBL11216489 0.85 ADRA2A (0.64) CHRNA7CYP2D6HSD17B10ADRA2CTOP1
SCHEMBL452289 0.81 CYP2D6 (0.62) CYP2D6HSD17B10ADRA2CTOP1ADRA1A
SCHEMBL452288 0.81 CYP2D6 (0.62) CYP2D6HSD17B10ADRA2CTOP1ADRA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-120004790-A Synthesis method of spiro oxindole, ke Nayin and yohimbine alkaloid and derivatives thereof 中国科学院昆明植物研究所 2025-05-16 CN disclosed
CN-119086763-A Method for simultaneously and rapidly determining gelsemium alkaloids based on MALDI-TOF MS 华南农业大学 2024-12-06 CN disclosed
US-20240084272-A1 CYTOCHROME P450 MONOOXYGENASES AND USES THEREOF UNIV BRITISH COLUMBIA (CA) 2024-03-14 US disclosed
US-20230248737-A1 COMPOSITIONS AND METHODS FOR TREATING PSYCHIATRIC DISORDERS OR SYMPTOMS THEREOF PSYRX LTD. (IL) 2023-08-10 US disclosed
EP-4175643-A1 COMPOSITIONS AND METHODS FOR TREATING PSYCHIATRIC DISORDERS OR SYMPTOMS THEREOF Psyrx Ltd. (IL) 2023-05-10 EP disclosed
US-20220347185-A1 IBOGAINE FORMULATIONS CAAMTECH INC (US) 2022-11-03 US disclosed
WO-2022120490-A1 CYTOCHROME P450 MONOOXYGENASES AND USES THEREOF THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2022-06-16 WO 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 (3 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-20220347185-A1 IBOGAINE FORMULATIONS OPRK1, OPRL1, OPRD1 CHRNA7 9/4885CYP2D6 380/4885HSD17B10 3892/4885
US-20240084272-A1 CYTOCHROME P450 MONOOXYGENASES AND USES THEREOF CYP3A43, CYP11B2, CYP11B1 CHRNA7 2062/4885CYP2D6 12/4885HSD17B10 118/4885
US-20230248737-A1 COMPOSITIONS AND METHODS FOR TREATING PSYCHIATRIC DISORDERS OR SYMPTOMS THEREOF GRIN2C, HTR5A, HTR2A CHRNA7 46/4885CYP2D6 644/4885HSD17B10 1414/4885

“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.