SCHEMBL22990733

SCHEMBL22990733

CC(=O)c1cc(Cl)ccc1Oc1ccccc1C1COCCN1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.40
▸ NPC1 O15118 2/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ CCR2 P41597 3/20 0.35
▸ MAPT P10636 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ HTR1A P08908 1/20 0.33
▸ SLC6A2 P23975 1/20 0.33
▸ SLC6A4 P31645 1/20 0.33
▸ SLC6A3 Q01959 1/20 0.33
▸ SCN8A Q9UQD0 2/20 0.33
▸ SCN10A Q9Y5Y9 2/20 0.33
▸ HTR2C P28335 1/20 0.33
▸ HTR2B P41595 1/20 0.33

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
SCHEMBL14839559 0.72 SLC6A2 (0.50) HTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL25235278 0.71 SMN1; SMN2 (0.40) KMT2ANPC1RAB9AMEN1HTR1A
SCHEMBL25237779 0.71 SMN1; SMN2 (0.40) KMT2ANPC1RAB9AMEN1HTR1A
Trifluoroacetic Acid SCHEMBL14830108 0.70 SLC6A2 (0.41) HTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL14833093 0.69 HTR2C (0.50) MAPTSLC6A2SLC6A4SLC6A3HTR2C
SCHEMBL28839236 0.69 ALDH1A1 (0.35) —
SCHEMBL31444529 0.67 HTR2A (0.40) KMT2AMAPTSLC6A2SLC6A4SLC6A3
SCHEMBL9948495 0.67 CYP1A2 (0.54) KMT2A
SCHEMBL6447800 0.67 TTR (0.56) KMT2ANPC1RAB9AMAPTMEN1
SCHEMBL20319860 0.67 TAAR1 (0.38) KMT2AMAPTMEN1SLC6A2SLC6A4

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-11535628-B2 Method for preparation of Asenapine ZHEJIANG AUSUN PHARMACEUTICAL CO., LTD. (CN) 2022-12-27 — — US disclosed
US-20210047339-A1 METHOD FOR PREPARATION OF ASENAPINE ZHEJIANG AUSUN PHARMACEUTICAL CO., LTD. (CN) 2021-02-18 — — 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 (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-11535628-B2 Method for preparation of Asenapine CYP3A5, QDPR, SPR KMT2A 2211/4885NPC1 523/4885RAB9A 1014/4885
US-20210047339-A1 METHOD FOR PREPARATION OF ASENAPINE CYP3A5, QDPR, SPR KMT2A 2211/4885NPC1 523/4885RAB9A 1014/4885

“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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