SCHEMBL18505883

SCHEMBL18505883

CCN(CC)CC[C@H]1CCNC1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A1 P30531 2/20 0.38
GABRA5 P31644 2/20 0.38
GABRB2 P47870 2/20 0.38
SLC6A12 P48065 2/20 0.38
SLC6A11 P48066 2/20 0.38
SLC6A13 Q9NSD5 2/20 0.38
GABRA1 P14867 1/20 0.38
GABRR1 P24046 1/20 0.38
GABRA4 P48169 1/20 0.38
KCNH2 Q12809 1/20 0.35
HRH4 Q9H3N8 3/20 0.32
HRH3 Q9Y5N1 3/20 0.32
GNAO1 P09471 1/20 0.30

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
SCHEMBL18505993 1.00 SLC6A1 (0.38) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
SCHEMBL9675370 1.00 SLC6A1 (0.38) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
SCHEMBL9675335 0.89 HRH3 (0.40) HRH4HRH3
SCHEMBL3999956 0.88 GNAO1 (0.39) HRH3GNAO1
Hydrochloric Acid SCHEMBL6147160 0.86 GNAO1 (0.41) HRH3GNAO1
SCHEMBL10921469 0.85 SLC6A1 (0.35) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
Trifluoroacetic Acid SCHEMBL18497521 0.84 SLC6A1 (0.42) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
SCHEMBL28214150 0.83 KMT2A (0.30)
SCHEMBL13849350 0.82 SLC6A1 (0.37) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
SCHEMBL19040773 0.80 GNAO1 (0.42) SLC6A1GABRA5GABRB2SLC6A12SLC6A11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190084968-A1 FUMAGILLOL HETEROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING SAME ZAFGEN INC (US) 2019-03-21 US disclosed
US-20190084969-A1 FUMAGILLOL HETEROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING SAME ZAFGEN INC (US) 2019-03-21 US disclosed
US-10023561-B2 Fumagillol heterocyclic compounds and methods of making and using same ZAFGEN, INC. (US) 2018-07-17 US disclosed
US-20170342058-A1 FUMAGILLOL HETEROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING SAME ZAFGEN, INC. 2017-11-30 US disclosed
US-9682965-B2 Fumagillol heterocyclic compounds and methods of making and using same ZAFGEN, INC. (US) 2017-06-20 US disclosed
US-9682965-B2 Fumagillol heterocyclic compounds and methods of making and using same ZAFGEN, INC. (US) 2017-06-20 US disclosed
US-20170066749-A1 FUMAGILLOL HETEROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING SAME ZAFGEN, INC. 2017-03-09 US disclosed
US-20170066749-A1 FUMAGILLOL HETEROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING SAME ZAFGEN, INC. 2017-03-09 US disclosed
WO-2017027684-A1 FUMAGILLOL HETEROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING SAME ZAFGEN, INC. (US) 2017-02-16 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 (5 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-20190084969-A1 FUMAGILLOL HETEROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING SAME METAP2, FAP, FOLH1 SLC6A1 2364/4885GABRA5 4363/4885GABRB2 3032/4885
US-20170066749-A1 FUMAGILLOL HETEROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING SAME METAP2, FAP, FOLH1 SLC6A1 2364/4885GABRA5 4363/4885GABRB2 3032/4885
US-20170342058-A1 FUMAGILLOL HETEROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING SAME METAP2, FAP, FOLH1 SLC6A1 2364/4885GABRA5 4363/4885GABRB2 3032/4885
US-20190084968-A1 FUMAGILLOL HETEROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING SAME METAP2, FAP, FOLH1 SLC6A1 2364/4885GABRA5 4363/4885GABRB2 3032/4885
US-10023561-B2 Fumagillol heterocyclic compounds and methods of making and using same METAP2, FAP, FOLH1 SLC6A1 2364/4885GABRA5 4363/4885GABRB2 3032/4885

“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.