Calycanthine

Calycanthine

SCHEMBL29779950

CN1CC[C@]23c4ccccc4N[C@@H]1[C@]21CCN(C)[C@@H]3Nc2ccccc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TACR1 P25103 4/20 0.43
▸ EHMT2 Q96KQ7 5/20 0.43
▸ SUV39H1 O43463 2/20 0.43
▸ ACHE P22303 8/20 0.43
▸ BCHE P06276 5/20 0.43
▸ NSD2 O96028 1/20 0.39
▸ EP300 Q09472 1/20 0.39
▸ HIF1A Q16665 1/20 0.39
▸ TXNRD1 Q16881 1/20 0.39
▸ NSD1 Q96L73 1/20 0.39
▸ NSD3 Q9BZ95 1/20 0.39
▸ SIGMAR1 Q99720 1/20 0.37

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
Chimonanthine SCHEMBL29779948 1.00 TACR1 (0.43) TACR1EHMT2SUV39H1ACHEBCHE
Calycanthine SCHEMBL893195 1.00 TACR1 (0.43) TACR1EHMT2SUV39H1ACHEBCHE
Calycanthine SCHEMBL29878816 1.00 TACR1 (0.43) TACR1EHMT2SUV39H1ACHEBCHE
Chimonanthine SCHEMBL20927442 1.00 TACR1 (0.43) TACR1EHMT2SUV39H1ACHEBCHE
Chimonanthine SCHEMBL29515267 1.00 TACR1 (0.43) TACR1EHMT2SUV39H1ACHEBCHE
SCHEMBL30555832 0.87 TACR1 (0.39) TACR1EHMT2SUV39H1ACHEBCHE
SCHEMBL20927487 0.85 TACR1 (0.36) TACR1EHMT2SUV39H1ACHEBCHE
SCHEMBL20927482 0.85 TACR1 (0.36) TACR1EHMT2SUV39H1ACHEBCHE
SCHEMBL19655969 0.85 TACR1 (0.36) TACR1EHMT2SUV39H1ACHEBCHE
SCHEMBL19657100 0.85 TACR1 (0.36) TACR1EHMT2SUV39H1ACHEBCHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12030888-B2 Himastatin derivatives, and processes of preparation thereof, and uses thereof MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2024-07-09 — — US disclosed
US-20220289750-A1 HIMASTATIN DERIVATIVES, AND PROCESSES OF PREPARATION THEREOF, AND USES THEREOF MASSACHUSETTS INSTITUTE OF TECHNOLOGY 2022-09-15 — — US disclosed
WO-2022182415-A1 HIMASTATIN DERIVATIVES, AND PROCESSES OF PREPARATION THEREOF, AND USES THEREOF MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2022-09-01 — — 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 (2 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-12030888-B2 Himastatin derivatives, and processes of preparation thereof, and uses thereof PCSK9, HMGCR, PCSK7 TACR1 3035/4885EHMT2 1875/4885SUV39H1 1693/4885
US-20220289750-A1 HIMASTATIN DERIVATIVES, AND PROCESSES OF PREPARATION THEREOF, AND USES THEREOF PCSK9, HMGCR, PCSK7 TACR1 3035/4885EHMT2 1875/4885SUV39H1 1693/4885

“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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