SCHEMBL20200060

SCHEMBL20200060

CCc1cnn([C@H]2C[C@H](NC(=O)c3cc(-c4ccccc4)on3)C2)c1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 4/20 0.54
▸ NPC1 O15118 3/20 0.54
▸ S1PR1 P21453 2/20 0.53
▸ FAAH O00519 3/20 0.49
▸ MAPT P10636 2/20 0.48
▸ ALDH1A1 P00352 1/20 0.48
▸ USP30 Q70CQ3 1/20 0.48
▸ SCD O00767 3/20 0.48
▸ SCD5 Q86SK9 1/20 0.48
▸ HSD17B10 Q99714 1/20 0.47
▸ HIF1A Q16665 2/20 0.46
▸ LMNA P02545 2/20 0.46
▸ MLLT1 Q03111 1/20 0.45
▸ KMT2A Q03164 2/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ CHRNB2 P17787 1/20 0.44
▸ CHRNA7 P36544 1/20 0.44
▸ CHRNA4 P43681 1/20 0.44

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
SCHEMBL20200072 1.00 RAB9A (0.54) RAB9ANPC1S1PR1FAAHMAPT
SCHEMBL17374222 0.91 RAB9A (0.55) RAB9ANPC1S1PR1FAAHMAPT
SCHEMBL17374405 0.91 RAB9A (0.55) RAB9ANPC1S1PR1FAAHMAPT
SCHEMBL17374219 0.91 RAB9A (0.55) RAB9ANPC1S1PR1FAAHMAPT
SCHEMBL20200079 0.85 RAB9A (0.54) RAB9ANPC1S1PR1FAAHMAPT
SCHEMBL20200077 0.85 RAB9A (0.54) RAB9ANPC1S1PR1FAAHMAPT
SCHEMBL17374483 0.84 RAB9A (0.53) RAB9ANPC1S1PR1FAAHMAPT
SCHEMBL17933873 0.84 RAB9A (0.53) RAB9ANPC1S1PR1FAAHMAPT
SCHEMBL17374432 0.84 RAB9A (0.53) RAB9ANPC1S1PR1FAAHMAPT
SCHEMBL18617096 0.84 RAB9A (0.53) RAB9ANPC1S1PR1FAAHMAPT

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-20180147187-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR INCREASING CFTR ACTIVITY PROTEOSTASIS THERAPEUTICS, INC. (US) 2018-05-31 — — 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-20180147187-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR INCREASING CFTR ACTIVITY CFTR, ABCC2, ABCB4 RAB9A 679/4885NPC1 165/4885S1PR1 4511/4885

“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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