SCHEMBL19844779

SCHEMBL19844779

C[C@@H]1CCCN(c2ccccn2)C1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM1 Q13255 4/20 0.52
KDM4E B2RXH2 4/20 0.49
RAB9A P51151 3/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
ALDH1A1 P00352 2/20 0.49
MAPK1 P28482 1/20 0.49
KAT2B Q92831 1/20 0.48
MAP4K4 O95819 1/20 0.48
RXFP1 Q9HBX9 1/20 0.48
PLD1 Q13393 1/20 0.47
NPC1 O15118 2/20 0.47
TP53 P04637 1/20 0.47
MAPT P10636 1/20 0.47
HPGD P15428 1/20 0.47
HTT P42858 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
ADRA1A P35348 1/20 0.45
ADORA2A P29274 1/20 0.45
ADORA1 P30542 1/20 0.45
GPBAR1 Q8TDU6 1/20 0.45

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
SCHEMBL13572999 1.00 GRM1 (0.52) GRM1KDM4ERAB9ASMN1; SMN2ALDH1A1
SCHEMBL19844773 1.00 GRM1 (0.52) GRM1KDM4ERAB9ASMN1; SMN2ALDH1A1
SCHEMBL23875675 0.90 GRM1 (0.51) GRM1KDM4EALDH1A1PLD1MAPT
SCHEMBL8091809 0.90 GRM1 (0.51) GRM1KDM4EALDH1A1PLD1MAPT
SCHEMBL23875353 0.83 PLD1 (0.52) GRM1KDM4EALDH1A1PLD1MAPT
SCHEMBL29505439 0.81 GRM1 (0.49) GRM1KDM4EALDH1A1KAT2BPLD1
SCHEMBL723065 0.81 PRKCQ (0.53) GRM1KDM4EKAT2BMAP4K4PLD1
SCHEMBL29683665 0.81 PRKCQ (0.53) GRM1KDM4EKAT2BMAP4K4PLD1
SCHEMBL27981822 0.81 PLD1 (0.47) GRM1KDM4EALDH1A1KAT2BPLD1
SCHEMBL13035335 0.80 KDM4E (0.53) GRM1KDM4EALDH1A1KAT2BPLD1

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-20180037566-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2018-02-08 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-20180037566-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF HDAC10, HDAC6, HDAC11 GRM1 1593/4885KDM4E 1434/4885RAB9A 1575/4885

“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.