SCHEMBL751658

SCHEMBL751658

O=C(Nc1cc[c]cc1)N1CCC1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.57
NPC1 O15118 5/20 0.57
SMN1; SMN2 Q16637 3/20 0.57
KMT2A Q03164 3/20 0.57
ALDH1A1 P00352 2/20 0.57
MEN1 O00255 1/20 0.57
TGM2 P21980 1/20 0.54
GAA P10253 1/20 0.51
MAPT P10636 3/20 0.51
POLB P06746 2/20 0.50
ABL1 P00519 1/20 0.50
RIN1 Q13671 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
CNR2 P34972 1/20 0.49
TSHR P16473 1/20 0.49
EPHX2 P34913 1/20 0.49

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
SCHEMBL751780 0.96 RAB9A (0.62) RAB9ANPC1SMN1; SMN2KMT2AALDH1A1
SCHEMBL754698 0.95 RAB9A (0.65) RAB9ANPC1SMN1; SMN2KMT2AALDH1A1
SCHEMBL750953 0.84 CYP2C9 (0.71) RAB9ANPC1SMN1; SMN2KMT2AALDH1A1
SCHEMBL3759188 0.84 POLB (0.69) RAB9ANPC1SMN1; SMN2KMT2AALDH1A1
SCHEMBL570715 0.81 CYP2C9 (0.71) RAB9ANPC1SMN1; SMN2KMT2AALDH1A1
SCHEMBL25281317 0.78 RAB9A (0.62) RAB9ANPC1SMN1; SMN2KMT2AALDH1A1
SCHEMBL4508859 0.78 KMT2A (0.90) RAB9ANPC1SMN1; SMN2KMT2AALDH1A1
SCHEMBL223421 0.78 MAPT (0.71) RAB9ANPC1SMN1; SMN2KMT2AALDH1A1
SCHEMBL4776281 0.77 CYP2C9 (0.71) RAB9ANPC1SMN1; SMN2KMT2AALDH1A1
SCHEMBL6609968 0.76 ALDH1A1 (0.55) RAB9ANPC1SMN1; SMN2KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2430013-B1 HETEROARYL COMPOUNDS AS PIKK INHIBITORS AMGEN INC (US) 2014-10-15 EP claimed
US-20120190666-A1 Heteroaryl Compounds as PIKK Inhibitors AMGEN INC. (US) 2012-07-26 US claimed
EP-2430013-A1 HETEROARYL COMPOUNDS AS PIKK INHIBITORS Amgen, Inc (US) 2012-03-21 EP claimed
WO-2010132598-A1 HETEROARYL COMPOUNDS AS PIKK INHIBITORS AMGEN INC. (US) 2010-11-18 WO claimed
EP-2430013-B1 HETEROARYL COMPOUNDS AS PIKK INHIBITORS AMGEN INC (US) 2014-10-15 EP disclosed
US-20120190666-A1 Heteroaryl Compounds as PIKK Inhibitors AMGEN INC. (US) 2012-07-26 US disclosed
EP-2430013-A1 HETEROARYL COMPOUNDS AS PIKK INHIBITORS Amgen, Inc (US) 2012-03-21 EP disclosed
WO-2010132598-A1 HETEROARYL COMPOUNDS AS PIKK INHIBITORS AMGEN INC. (US) 2010-11-18 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 (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-20120190666-A1 Heteroaryl Compounds as PIKK Inhibitors PIK3CA, PIKFYVE, PIK3CD RAB9A 677/4885NPC1 732/4885SMN1; SMN2 3999/4885

“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.