SCHEMBL6645271

SCHEMBL6645271

CCCN1CCNCC1CO

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.41
GBA1 P04062 1/20 0.40
GAA P10253 1/20 0.37
SPHK2 Q9NRA0 2/20 0.34
SPHK1 Q9NYA1 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MITF O75030 1/20 0.33
APAF1 O14727 1/20 0.32
IDE P14735 1/20 0.32
GNAI3 P08754 3/20 0.31
GNAO1 P09471 3/20 0.31
GNAI1 P63096 3/20 0.31
GBA2 Q9HCG7 2/20 0.31

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
SCHEMBL28794955 0.91 TAAR1 (0.44) TAAR1GBA1GAASPHK2SPHK1
SCHEMBL6484393 0.88 GBA1 (0.44) TAAR1GBA1GAAGNAI3GNAO1
SCHEMBL9261256 0.87 GBA1 (0.43) TAAR1GBA1GAAGNAI3GNAO1
SCHEMBL6760989 0.86 TAAR1 (0.33) TAAR1GBA1GAA
SCHEMBL3834096 0.86 TDP1 (0.35) TAAR1GBA1GAATDP1L3MBTL1
SCHEMBL6648360 0.86 TAAR1 (0.33) TAAR1GBA1GAA
SCHEMBL31397702 0.85 TAAR1 (0.45) TAAR1GBA1GAATDP1L3MBTL1
SCHEMBL3110597 0.84 TAAR1 (0.43) TAAR1GBA1TDP1L3MBTL1MITF
SCHEMBL7023461 0.82 TAAR1 (0.48) TAAR1GBA1TDP1L3MBTL1MITF
Hydrochloric Acid SCHEMBL28058916 0.82 TAAR1 (0.42) TAAR1TDP1L3MBTL1MITFAPAF1

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
EP-3133094-A1 CURING AGENT FOR USE IN PRODUCTION OF POLYUREA RESIN, AND POLYUREA RESIN PRODUCTION METHOD USING SAME Tosoh Corporation (JP) 2017-02-22 EP disclosed
US-20040176361-A1 Fused heterocyclic compound and medicinal use thereof MITSUBISHI PHARMA CORPORATION (JP) 2004-09-09 US disclosed
EP-1396488-A1 FUSED HETEROCYCLIC COMPOUND AND MEDICINAL USE THEREOF Mitsubishi Pharma Corporation (JP) 2004-03-10 EP 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-20040176361-A1 Fused heterocyclic compound and medicinal use thereof PARP11, PARP1, CD38 TAAR1 4581/4885GBA1 1705/4885GAA 379/4885

“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.