SCHEMBL18926693

SCHEMBL18926693

CC(C)CN1CCN(CC(C)C)C(=O)C1

nearest known ligand 0.67

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 6/20 0.67
▸ NPC1 O15118 2/20 0.44
▸ RAB9A P51151 2/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ COMT P21964 1/20 0.43
▸ P2RX7 Q99572 2/20 0.43
▸ POLB P06746 1/20 0.39
▸ PRMT5 O14744 3/20 0.38
▸ WDR77 Q9BQA1 3/20 0.38
▸ BTK Q06187 1/20 0.35

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
SCHEMBL19601807 0.84 PIK3CD (0.53) PIK3CDNPC1RAB9AL3MBTL1COMT
SCHEMBL24664423 0.83 PIK3CD (0.47) PIK3CDNPC1RAB9AL3MBTL1COMT
SCHEMBL4390570 0.81 PIK3CD (0.49) PIK3CDP2RX7PRMT5WDR77
SCHEMBL16260596 0.80 PIK3CD (1.00) PIK3CDNPC1RAB9AL3MBTL1COMT
SCHEMBL2619229 0.80 PIK3CD (0.55) PIK3CDNPC1RAB9AL3MBTL1P2RX7
SCHEMBL2624402 0.79 PRMT5 (0.59) NPC1RAB9AL3MBTL1P2RX7POLB
SCHEMBL3419405 0.78 PIK3CD (0.65) PIK3CDNPC1RAB9AL3MBTL1COMT
SCHEMBL21959946 0.78 PIK3CD (0.65) PIK3CDNPC1RAB9AL3MBTL1COMT
SCHEMBL22387991 0.78 PIK3CD (0.53) PIK3CDNPC1RAB9AL3MBTL1P2RX7
SCHEMBL22012732 0.78 PIK3CD (0.56) PIK3CDL3MBTL1P2RX7POLB

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-20170158702-A1 MULTIVALENT RAS BINDING COMPOUNDS KYRAS THERAPEUTICS, INC. 2017-06-08 — — 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-20170158702-A1 MULTIVALENT RAS BINDING COMPOUNDS KRAS, HRAS, NRAS PIK3CD 94/4885NPC1 1999/4885RAB9A 124/4885

“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.

Send feedback