SCHEMBL21661644

SCHEMBL21661644

CCC(=O)C1CCN(C(C)(C)C)C1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.35
HSD11B1 P28845 1/20 0.35
ATM Q13315 1/20 0.34
MAPT P10636 3/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
KMT2A Q03164 1/20 0.33
GAA P10253 1/20 0.32
LMNA P02545 1/20 0.32
POLB P06746 1/20 0.30
HPGD P15428 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
SCHEMBL19369746 0.89 ALDH1A1 (0.40) SMN1; SMN2HSD11B1MAPTMEN1ALDH1A1
SCHEMBL17713632 0.89 HSD11B1 (0.40) SMN1; SMN2HSD11B1ATMMAPTMEN1
SCHEMBL25143835 0.84 CHRM2 (0.31)
SCHEMBL845673 0.84 ATM (0.33) SMN1; SMN2ATMMAPTMEN1ALDH1A1
SCHEMBL23251672 0.80 CHRM1 (0.42) SMN1; SMN2HSD11B1MEN1ALDH1A1KMT2A
SCHEMBL25474849 0.79 ATM (0.37) SMN1; SMN2ATMLMNAPOLBHPGD
SCHEMBL15188004 0.79 LMNA (0.46) ATMALDH1A1LMNAPOLB
SCHEMBL25474851 0.79 ATM (0.37) SMN1; SMN2ATMLMNAPOLBHPGD
SCHEMBL11977462 0.79 LMNA (0.46) ATMALDH1A1LMNAPOLB
SCHEMBL15504586 0.79 ATM (0.37) SMN1; SMN2ATMLMNAPOLBHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020028532-A1 ADJUVANT EFFECT OF THE TLR1/2 AGONIST DIPROVOCIM SYNERGIZES WITH CHECKPOINT-INHIBITING ANTIBODIES TO ELIMINATE DISEASE THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2020-02-06 WO disclosed
US-9855269-B2 Aminoquinazoline and pyridopyrimidine derivatives GENENTECH, INC. (US) 2018-01-02 US disclosed
US-9592235-B2 Aminoquinazoline and pyridopyrimidine derivatives GENENTECH, INC. (US) 2017-03-14 US disclosed
US-20160296525-A1 AMINOQUINAZOLINE AND PYRIDOPYRIMIDINE DERIVATIVES GENENTECH, INC. (US) 2016-10-13 US disclosed
US-9382241-B2 Aminoquinazoline and pyridopyrimidine derivatives GENENTECH, INC. (US) 2016-07-05 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-20160296525-A1 AMINOQUINAZOLINE AND PYRIDOPYRIMIDINE DERIVATIVES DPYD, FANCD2, RECQL SMN1; SMN2 2020/4885HSD11B1 3187/4885ATM 448/4885

“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.