SCHEMBL23460217

SCHEMBL23460217

CCCNC(=O)OCc1ccc(-c2csc(N(C)C)n2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 12/20 0.44
▸ MAPT P10636 7/20 0.44
▸ NPC1 O15118 11/20 0.44
▸ ALDH1A1 P00352 2/20 0.42
▸ LMNA P02545 1/20 0.42
▸ PKM P14618 1/20 0.40
▸ MEN1 O00255 4/20 0.39
▸ KMT2A Q03164 4/20 0.39
▸ ROCK2 O75116 1/20 0.39
▸ ROCK1 Q13464 1/20 0.39
▸ L3MBTL1 Q9Y468 4/20 0.39
▸ GCGR P47871 1/20 0.39
▸ GIPR P48546 1/20 0.39
▸ ENPP2 Q13822 1/20 0.38
▸ TDP1 Q9NUW8 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ GSTO1 P78417 1/20 0.38
▸ CASP3 P42574 1/20 0.38
▸ SENP8 Q96LD8 1/20 0.38
▸ SENP7 Q9BQF6 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
SCHEMBL23460138 0.82 RAB9A (0.44) RAB9AMAPTNPC1ALDH1A1LMNA
SCHEMBL23460116 0.80 KDM4E (0.57) RAB9AMAPTNPC1ALDH1A1LMNA
SCHEMBL23460184 0.76 RAB9A (0.49) RAB9AMAPTNPC1ALDH1A1LMNA
Hydrochloric Acid SCHEMBL23460152 0.75 RAB9A (0.48) RAB9AMAPTNPC1ALDH1A1LMNA
SCHEMBL23460215 0.72 KMT2A (0.50) RAB9AMAPTNPC1ALDH1A1LMNA
SCHEMBL23486303 0.71 RAB9A (0.51) RAB9AMAPTNPC1ALDH1A1LMNA
SCHEMBL23486602 0.70 RAB9A (0.54) RAB9AMAPTNPC1ALDH1A1LMNA
SCHEMBL733157 0.69 LMNA (0.71) RAB9AMAPTNPC1ALDH1A1LMNA
SCHEMBL19569803 0.69 PRSS1 (0.48) MAPTLMNAKMT2AL3MBTL1SMN1; SMN2
SCHEMBL23486294 0.69 RAB9A (0.42) RAB9AMAPTNPC1ALDH1A1LMNA

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-20230065034-A1 CRF RECEPTOR ANTAGONISTS AND METHODS OF USE NEUROCRINE BIOSCIENCES, INC. 2023-03-02 — — US disclosed
EP-4069697-A1 CRF RECEPTOR ANTAGONISTS AND METHODS OF USE Neurocrine Biosciences, Inc. (US) 2022-10-12 — — EP disclosed
WO-2021113263-A1 CRF RECEPTOR ANTAGONISTS AND METHODS OF USE NEUROCRINE BIOSCIENCES, INC. (US) 2021-06-10 — — 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 (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-20230065034-A1 CRF RECEPTOR ANTAGONISTS AND METHODS OF USE CRHR1, CRH, CRHR2 RAB9A 2959/4885MAPT 4580/4885NPC1 801/4885

“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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