SCHEMBL10168581

SCHEMBL10168581

C=C1CCCN(C(C)C)C1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.34
HRH3 Q9Y5N1 1/20 0.33
ALDH1A1 P00352 2/20 0.32
GAA P10253 2/20 0.32
THRB P10828 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30
KMT2A Q03164 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL10254882 0.86
SCHEMBL22306151 0.82 CHRNA7 (0.43) CHRNA7HRH3ALDH1A1KDM4EMAPT
SCHEMBL2737374 0.75
SCHEMBL19459231 0.73 CHRNA7 (0.34) CHRNA7HRH3ALDH1A1GAATHRB
SCHEMBL19459075 0.73 CHRNA7 (0.39) CHRNA7HRH3ALDH1A1GAATHRB
SCHEMBL1698543 0.73 ALDH1A1 (0.39) CHRNA7HRH3ALDH1A1GAATHRB
Bromide SCHEMBL3734670 0.71 ALDH1A1 (0.38) CHRNA7HRH3ALDH1A1GAATHRB
Hydrochloric Acid SCHEMBL3741338 0.71 ALDH1A1 (0.38) CHRNA7HRH3ALDH1A1GAATHRB
SCHEMBL10130728 0.70 CHRNA7 (0.50) CHRNA7HRH3ALDH1A1GAATHRB
SCHEMBL24274244 0.70 CHRNA7 (0.32) CHRNA7HRH3ALDH1A1GAATHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230373983-A1 AMIDO HETEROAROMATIC COMPOUNDS ASTRAZENECA AB (SE) 2023-11-23 US disclosed
US-20230140430-A1 1H-PYRAZOLO[4,3-d]PYRIMIDINE COMPOUNDS AS TOLL-LIKE RECEPTOR 7 (TLR7) AGONISTS BRISTOL-MYERS SQUIBB COMPANY 2023-05-04 US disclosed
US-20160347748-A1 BENZAMIDE AND NICOTINAMIDE COMPOUNDS AND METHODS OF USING SAME ONCOTARTIS INC. 2016-12-01 US disclosed
US-20150352108-A1 AMINO-PYRIMIDINE COMPOUNDS AS INHIBITORS OF TBK1 AND/OR IKK EPSILON ALZHEIMER'S INSTITUTE OF AMERICA (US) 2015-12-10 US disclosed
US-8586751-B2 Nicotinamide compounds useful as kinase modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2013-11-19 US disclosed
US-20120238540-A1 AMINO-PYRIMIDINE COMPOUNDS AS INHIBITORS OF IKK EPSILON AND/OR TBK1 MYREXIS, INC. (US) 2012-09-20 US disclosed
US-20120082702-A1 NICOTINAMIDE COMPOUNDS USEFUL AS KINASE MODULATORS BRISTOL-MEYERS SQUIBB COMPANY 2012-04-05 US disclosed
WO-2009055077-A1 TROPANE COMPOUNDS EXELIXIS, INC. (US) 2009-04-30 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 (6 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-20160347748-A1 BENZAMIDE AND NICOTINAMIDE COMPOUNDS AND METHODS OF USING SAME NAMPT, NNT, NADK CHRNA7 2320/4885HRH3 404/4885ALDH1A1 629/4885
US-20150352108-A1 AMINO-PYRIMIDINE COMPOUNDS AS INHIBITORS OF TBK1 AND/OR IKK EPSILON TBK1, NFKBIA, CHUK CHRNA7 3707/4885HRH3 3651/4885ALDH1A1 4754/4885
US-20230140430-A1 1H-PYRAZOLO[4,3-d]PYRIMIDINE COMPOUNDS AS TOLL-LIKE RECEPTOR 7 (TLR7) AGONISTS TLR7, TLR1, TLR9 CHRNA7 1087/4885HRH3 376/4885ALDH1A1 1590/4885
US-20120082702-A1 NICOTINAMIDE COMPOUNDS USEFUL AS KINASE MODULATORS NADK, BTK, NAMPT CHRNA7 2096/4885HRH3 1169/4885ALDH1A1 2193/4885
US-20120238540-A1 AMINO-PYRIMIDINE COMPOUNDS AS INHIBITORS OF IKK EPSILON AND/OR TBK1 TBK1, NFKBIA, IKBKB CHRNA7 3883/4885HRH3 3418/4885ALDH1A1 4626/4885
US-20230373983-A1 AMIDO HETEROAROMATIC COMPOUNDS CYP7A1, SLC10A1, CYP11B2 CHRNA7 4393/4885HRH3 1157/4885ALDH1A1 299/4885

“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.