SCHEMBL21364028

SCHEMBL21364028

CCCCC(C)(CCC)N1CCNCC1

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GNAO1 P09471 6/20 0.38
GNAI3 P08754 5/20 0.38
GNAI1 P63096 5/20 0.38
SIGMAR1 Q99720 1/20 0.33
CETP P11597 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
SCHEMBL21166114 0.92 GNAO1 (0.43) GNAO1GNAI3GNAI1SIGMAR1
SCHEMBL21524575 0.90 GNAO1 (0.44) GNAO1GNAI3GNAI1SIGMAR1
SCHEMBL19302473 0.90 GNAO1 (0.44) GNAO1GNAI3GNAI1SIGMAR1
SCHEMBL4893032 0.90 GNAO1 (0.43) GNAO1GNAI3GNAI1SIGMAR1
SCHEMBL18431542 0.88 GNAO1 (0.46) GNAO1GNAI3GNAI1SIGMAR1
SCHEMBL19485353 0.88 GNAO1 (0.46) GNAO1GNAI3GNAI1SIGMAR1
SCHEMBL18649667 0.88 GNAO1 (0.46) GNAO1GNAI3GNAI1SIGMAR1
SCHEMBL18993485 0.88 GNAO1 (0.46) GNAO1GNAI3GNAI1SIGMAR1
SCHEMBL19226663 0.88 GNAO1 (0.46) GNAO1GNAI3GNAI1SIGMAR1
SCHEMBL25583622 0.86 GNAO1 (0.39) GNAO1GNAI3GNAI1SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10647686-B2 Substituted pyrimidines for preventing or treating cancer and inflammatory diseases KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2020-05-12 US disclosed
US-20190284143-A1 NOVEL PYRIMIDINE COMPOUND, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT FOR PREVENTING OR TREATING CANCER AND INFLAMMATORY DISEASES KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2019-09-19 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 (2 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-20190284143-A1 NOVEL PYRIMIDINE COMPOUND, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT FOR PREVENTING OR TREATING CANCER AND INFLAMMATORY DISEASES DTYMK, TGFB1, DCK GNAO1 2467/4885GNAI3 3248/4885GNAI1 2245/4885
US-10647686-B2 Substituted pyrimidines for preventing or treating cancer and inflammatory diseases TGFBR1, TGFBR2, TGFB1 GNAO1 2270/4885GNAI3 2840/4885GNAI1 1930/4885

“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.