SCHEMBL25987108

SCHEMBL25987108

c1ccc2c(c1)C[C@H]1COCCN21

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HTR2C P28335 6/20 0.51
▸ HTR2A P28223 3/20 0.51
▸ NOTUM Q6P988 3/20 0.50
▸ ALDH1A1 P00352 2/20 0.45
▸ KDM4E B2RXH2 1/20 0.41
▸ HTR2B P41595 5/20 0.40
▸ SIGMAR1 Q99720 5/20 0.39
▸ LMNA P02545 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ HTR1A P08908 1/20 0.38
▸ ALOX12 P18054 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ PMP22 Q01453 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 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
SCHEMBL1520975 1.00 HTR2C (0.51) HTR2CHTR2ANOTUMALDH1A1KDM4E
SCHEMBL30681350 0.77 OPRM1 (0.48) HTR2CHTR2ANOTUMALDH1A1HTR2B
SCHEMBL22270895 0.76 AAK1 (0.42) LMNAHTR1A
SCHEMBL10153943 0.73 HTR2C (0.65) HTR2CHTR2ANOTUMALDH1A1KDM4E
SCHEMBL4105459 0.72 SIGMAR1 (0.46) NOTUMALDH1A1SIGMAR1LMNACYP3A4
SCHEMBL11179442 0.71 HTR2C (0.42) HTR2CHTR2ANOTUMALDH1A1KDM4E
SCHEMBL18989168 0.71 ACHE (0.38) HTR2ANOTUMALDH1A1KDM4EPOLB
SCHEMBL1364392 0.70 HTR2C (0.53) HTR2CHTR2ANOTUMHTR2BSIGMAR1
SCHEMBL5765145 0.69 HTR2C (0.51) HTR2CHTR2ANOTUMALDH1A1KDM4E
SCHEMBL21278358 0.69 HTR2A (0.63) HTR2CHTR2AALDH1A1KDM4EHTR2B

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-20230242567-A1 CHIRAL PHOSPHORAMIDITE AUXILIARIES AND METHODS OF THEIR USE SIRIUS THERAPEUTICS, INC. 2023-08-03 — — 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-20230242567-A1 CHIRAL PHOSPHORAMIDITE AUXILIARIES AND METHODS OF THEIR USE PNP, PCNA, NUDT14 HTR2C 2843/4885HTR2A 3138/4885NOTUM 2886/4885

“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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