SCHEMBL18019797

SCHEMBL18019797

COc1ccccc1C[C@H]1CCCN1

nearest known ligand 0.64

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CHRNB4 P30926 4/20 0.64
CHRNA3 P32297 4/20 0.64
TACR1 P25103 4/20 0.52
HTR6 P50406 5/20 0.51
POLB P06746 1/20 0.49
CHRNB2 P17787 1/20 0.47
CHRNA4 P43681 1/20 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
SCHEMBL18019795 1.00 CHRNB4 (0.64) CHRNB4CHRNA3TACR1HTR6POLB
SCHEMBL13877462 1.00 CHRNB4 (0.64) CHRNB4CHRNA3TACR1HTR6POLB
Hydrochloric Acid SCHEMBL3636932 0.98 CHRNB4 (0.62) CHRNB4CHRNA3TACR1HTR6POLB
SCHEMBL18019873 0.95 CHRNB4 (0.58) CHRNB4CHRNA3TACR1HTR6POLB
SCHEMBL18019869 0.95 CHRNB4 (0.58) CHRNB4CHRNA3TACR1HTR6POLB
SCHEMBL17979768 0.95 CHRNB4 (0.58) CHRNB4CHRNA3TACR1HTR6POLB
SCHEMBL11471256 0.94 CHRNB4 (0.57) CHRNB4CHRNA3TACR1HTR6POLB
SCHEMBL23477672 0.87 CHRNB4 (0.53) CHRNB4CHRNA3TACR1HTR6
SCHEMBL30475084 0.87 CHRNB4 (0.53) CHRNB4CHRNA3TACR1HTR6
SCHEMBL8792312 0.85 CHRNB4 (0.61) CHRNB4CHRNA3TACR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021068530-A1 Z-TYPE SOLANONE, PREPARATION METHOD THEREFOR, AND USE 云南中烟工业有限责任公司 2021-04-15 WO disclosed
US-20180118721-A1 PYRIMIDINE DERIVATIVES MERCK PATENT GMBH (DE) 2018-05-03 US disclosed
US-20180118721-A1 PYRIMIDINE DERIVATIVES MERCK PATENT GMBH (DE) 2018-05-03 US disclosed
WO-2016128140-A1 PYRIMIDINE DERIVATIVES FOR USE IN THE TREATMENT OF CANCER MERCK PATENT GMBH (DE) 2016-08-18 WO 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-20180118721-A1 PYRIMIDINE DERIVATIVES MTHFD1, TYMS, DPYD CHRNB4 4780/4885CHRNA3 4643/4885TACR1 3778/4885

“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.