SCHEMBL24919476

SCHEMBL24919476

NCCC[C@@H](O)c1cccnc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.50
CYP2A6 P11509 1/20 0.49
HRH1 P35367 3/20 0.46
HTR2A P28223 1/20 0.46
TBXAS1 P24557 1/20 0.44
CFTR P13569 1/20 0.44
SLC6A2 P23975 1/20 0.44
SLC6A4 P31645 1/20 0.44
SLC6A3 Q01959 1/20 0.44
GOPC Q9HD26 1/20 0.44
LMNA P02545 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CHRNA7 P36544 1/20 0.43
GRM8 O00222 1/20 0.43
GRM4 Q14833 1/20 0.43
GAA P10253 1/20 0.42
CYP17A1 P05093 1/20 0.42
TSHR P16473 1/20 0.42
ADRB2 P07550 1/20 0.40
ADRB1 P08588 1/20 0.40

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
SCHEMBL28924921 1.00 SMN1; SMN2 (0.50) SMN1; SMN2CYP2A6HRH1HTR2ATBXAS1
SCHEMBL28924924 1.00 SMN1; SMN2 (0.50) SMN1; SMN2CYP2A6HRH1HTR2ATBXAS1
SCHEMBL30065165 1.00 SMN1; SMN2 (0.50) SMN1; SMN2CYP2A6HRH1HTR2ATBXAS1
SCHEMBL6074158 0.85 SMN1; SMN2 (0.57) SMN1; SMN2CFTRSLC6A2SLC6A4SLC6A3
SCHEMBL1609153 0.85 SMN1; SMN2 (0.57) SMN1; SMN2CFTRSLC6A2SLC6A4SLC6A3
SCHEMBL6074090 0.85 SMN1; SMN2 (0.57) SMN1; SMN2CFTRSLC6A2SLC6A4SLC6A3
SCHEMBL2577931 0.84 SMN1; SMN2 (0.52) SMN1; SMN2TBXAS1CFTRSLC6A2SLC6A4
SCHEMBL26772785 0.84 SMN1; SMN2 (0.52) SMN1; SMN2TBXAS1CFTRSLC6A2SLC6A4
SCHEMBL26772791 0.84 SMN1; SMN2 (0.52) SMN1; SMN2TBXAS1CFTRSLC6A2SLC6A4
Hydrochloric Acid SCHEMBL6285618 0.83 SMN1; SMN2 (0.55) SMN1; SMN2CYP2A6CFTRSLC6A2SLC6A4

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-20230044688-A1 SYNTHESIS METHOD OF CHIRAL (S)-NICOTINE SHENZHEN ZINWI BIO-TECH CO., LTD (CN) 2023-02-09 US disclosed
WO-2023284057-A1 METHOD FOR PREPARING S-NICOTINE 深圳市真味生物科技有限公司 2023-01-19 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-20230044688-A1 SYNTHESIS METHOD OF CHIRAL (S)-NICOTINE CHRNB1, CHRNB4, DNMT3A SMN1; SMN2 4238/4885CYP2A6 201/4885HRH1 1132/4885

“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.