SCHEMBL17811376

SCHEMBL17811376

CC(C)C1=Nc2cnccc2C1

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 1/20 0.36
PDE3A Q14432 1/20 0.36
SIGMAR1 Q99720 1/20 0.35
CHRNB2 P17787 1/20 0.32
CHRNA4 P43681 1/20 0.32

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
SCHEMBL1105684 0.75 PDE3B (0.39) PDE3BPDE3ASIGMAR1CHRNB2CHRNA4
SCHEMBL1101901 0.75 HRH4 (0.40) SIGMAR1
SCHEMBL2756155 0.70 NPSR1 (0.36)
SCHEMBL14440660 0.70
SCHEMBL19699945 0.70 SIGMAR1 (0.39) PDE3BPDE3ASIGMAR1CHRNB2CHRNA4
SCHEMBL13160611 0.70 KDM4E (0.42)
SCHEMBL22087220 0.67 RAB9A (0.42) PDE3BPDE3A
SCHEMBL31544358 0.64 SIRT3 (0.43) PDE3BPDE3ASIGMAR1CHRNB2CHRNA4
SCHEMBL13200098 0.64
SCHEMBL13844803 0.64 PDE3B (0.41) PDE3BPDE3ASIGMAR1CHRNB2CHRNA4

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
US-20230135723-A1 ANTI-CD98 ANTIBODIES AND ANTIBODY DRUG CONJUGATES ABBVIE INC (US) 2023-05-04 US disclosed
US-20160158377-A1 BCL-XL Inhibitory Compounds and Antibody Drug Conjugates Including the Same ABBVIE INC. (US) 2016-06-09 US disclosed
US-20140205537-A1 LRRK2 INHIBITORS ZENOBIA THERAPEUTICS, INC. (US) 2014-07-24 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 (3 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-20230135723-A1 ANTI-CD98 ANTIBODIES AND ANTIBODY DRUG CONJUGATES CD99, SLC3A2, CD63 PDE3B 4785/4885PDE3A 4400/4885SIGMAR1 2371/4885
US-20140205537-A1 LRRK2 INHIBITORS LRRK2, PARK7, MAP2 PDE3B 3673/4885PDE3A 3380/4885SIGMAR1 3585/4885
US-20160158377-A1 BCL-XL Inhibitory Compounds and Antibody Drug Conjugates Including the Same BCL2, BCL2L10, BAX PDE3B 3737/4885PDE3A 3952/4885SIGMAR1 4337/4885

“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.