SCHEMBL15029590

SCHEMBL15029590

N[C@H]1CC[C@H](OCCN2CCCC2)CC1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.60
▸ MCHR1 Q99705 1/20 0.38
▸ LTA4H P09960 4/20 0.37
▸ PTGS1 P23219 1/20 0.37
▸ PTGS2 P35354 1/20 0.37
▸ PSMB1 P20618 1/20 0.35
▸ PSMB5 P28074 1/20 0.35
▸ PSMB2 P49721 1/20 0.35
▸ HRH3 Q9Y5N1 4/20 0.35
▸ GNAI3 P08754 1/20 0.34
▸ GNAO1 P09471 1/20 0.34
▸ GNAI1 P63096 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ KCNH2 Q12809 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ TSHR P16473 1/20 0.34

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
SCHEMBL385702 0.98 NPC1 (0.63) NPC1MCHR1LTA4HPTGS1PTGS2
SCHEMBL385701 0.98 NPC1 (0.63) NPC1MCHR1LTA4HPTGS1PTGS2
SCHEMBL15009138 0.89 NPC1 (0.47) NPC1HRH3GNAI3GNAO1GNAI1
SCHEMBL15009139 0.89 NPC1 (0.47) NPC1HRH3GNAI3GNAO1GNAI1
SCHEMBL13939521 0.82 NPC1 (0.88) NPC1MCHR1LTA4HPSMB1PSMB5
SCHEMBL16016535 0.82 NPC1 (0.88) NPC1MCHR1LTA4HPSMB1PSMB5
SCHEMBL14654909 0.81 NPC1 (0.60) NPC1MCHR1HRH3TDP1ALDH1A1
SCHEMBL77295 0.77 NPC1 (0.60) NPC1MCHR1LTA4HHRH3GNAI3
SCHEMBL13367 0.77 NPC1 (0.66) NPC1MCHR1LTA4HPSMB1PSMB5
SCHEMBL14652221 0.77 NPC1 (0.55) NPC1MCHR1PSMB1PSMB5ALDH1A1

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-8912180-B2 Heterocyclic compound ASTELLAS PHARMA INC. (JP) 2014-12-16 — — US disclosed
US-8912180-B2 Heterocyclic compound ASTELLAS PHARMA INC. (JP) 2014-12-16 — — US disclosed
US-20130150364-A1 HETEROCYCLIC COMPOUND ASTELLAS PHARMA INC. (JP) 2013-06-13 — — 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-20130150364-A1 HETEROCYCLIC COMPOUND IL2, NFATC1, ICOS NPC1 4398/4885MCHR1 2891/4885LTA4H 482/4885

“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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