SCHEMBL21759481

SCHEMBL21759481

CCCCCCCCN1CCC(F)C1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GNAO1 P09471 6/20 0.61
GNAI3 P08754 5/20 0.61
GNAI1 P63096 5/20 0.61
BCHE P06276 1/20 0.49
GUSB P08236 2/20 0.48
EBP Q15125 1/20 0.48
SIGMAR1 Q99720 1/20 0.48
HTR1A P08908 5/20 0.47
DRD2 P14416 5/20 0.47
DRD1 P21728 5/20 0.47
DRD4 P21917 5/20 0.47
DRD5 P21918 5/20 0.47
DRD3 P35462 5/20 0.47

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
SCHEMBL38666628 1.00 GNAO1 (0.61) GNAO1GNAI3GNAI1BCHEGUSB
SCHEMBL21933451 1.00 GNAO1 (0.61) GNAO1GNAI3GNAI1BCHEGUSB
SCHEMBL27321548 1.00 GNAO1 (0.61) GNAO1GNAI3GNAI1BCHEGUSB
SCHEMBL20324860 0.98 GNAO1 (0.58) GNAO1GNAI3GNAI1BCHEGUSB
SCHEMBL11929529 0.92 GNAI3 (0.50) GNAO1GNAI3GNAI1SIGMAR1HTR1A
SCHEMBL11929534 0.92 GNAI3 (0.50) GNAO1GNAI3GNAI1SIGMAR1HTR1A
SCHEMBL19275197 0.88 GNAO1 (0.71) GNAO1GNAI3GNAI1GUSBEBP
SCHEMBL21024538 0.88 GNAO1 (0.71) GNAO1GNAI3GNAI1GUSBEBP
SCHEMBL25963757 0.88 GNAO1 (0.71) GNAO1GNAI3GNAI1GUSBEBP
SCHEMBL25834668 0.85 GUSB (0.59) GNAO1GNAI3GNAI1BCHEGUSB

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-11084818-B2 Nitrogen-containing heterocyclic compound, preparation method, intermediate, pharmaceutical composition and use HEPO PHARMACEUTICAL CO., LTD. (CN) 2021-08-10 US disclosed
US-20200062758-A1 Nitrogen-Containing Heterocyclic Compound, Preparation Method, Intermediate, Pharmaceutical Composition and use HEPO PHARMACEUTICAL CO., LTD. (CN) 2020-02-27 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-11084818-B2 Nitrogen-containing heterocyclic compound, preparation method, intermediate, pharmaceutical composition and use TLR7, TLR9, TLR4 GNAO1 62/4885GNAI3 318/4885GNAI1 167/4885
US-20200062758-A1 Nitrogen-Containing Heterocyclic Compound, Preparation Method, Intermediate, Pharmaceutical Composition and use TLR7, TLR9, NOD1 GNAO1 83/4885GNAI3 209/4885GNAI1 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.