SCHEMBL4966136

SCHEMBL4966136

Nc1ccc(C2CCNCC2)c(Cl)c1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.43
CHRNA4 P43681 1/20 0.43
HTR1A P08908 4/20 0.42
HTR6 P50406 2/20 0.42
SLC6A2 P23975 3/20 0.42
SLC6A4 P31645 3/20 0.42
SLC6A3 Q01959 2/20 0.42
HTR2C P28335 8/20 0.42
CYP3A4 P08684 2/20 0.42
TSHR P16473 1/20 0.42
ALDH1A1 P00352 1/20 0.39
HTT P42858 1/20 0.39
GABRA1 P14867 1/20 0.39
GABRG2 P18507 1/20 0.39
GABRB3 P28472 1/20 0.39
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
HRH4 Q9H3N8 1/20 0.38

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
SCHEMBL3786523 0.87 CYP3A4 (0.50) CHRNB2CHRNA4CYP3A4TSHRALDH1A1
SCHEMBL29769051 0.87 CYP3A4 (0.50) CHRNB2CHRNA4CYP3A4TSHRALDH1A1
SCHEMBL3786596 0.83 CYP3A4 (0.46) CHRNB2CHRNA4CYP3A4TSHRALDH1A1
SCHEMBL3784050 0.83 CYP3A4 (0.46) CHRNB2CHRNA4CYP3A4TSHRALDH1A1
SCHEMBL3385674 0.81 SLC6A2 (0.52) CHRNB2CHRNA4HTR1AHTR6SLC6A2
SCHEMBL3792360 0.81 ALDH1A1 (0.46) CHRNB2CHRNA4CYP3A4TSHRALDH1A1
Hydrochloric Acid SCHEMBL4886168 0.80 SLC6A2 (0.51) CHRNB2CHRNA4HTR1AHTR6SLC6A2
SCHEMBL12070785 0.79 SLC6A2 (0.44) CHRNB2CHRNA4HTR1AHTR6SLC6A2
SCHEMBL3386544 0.79 SLC6A2 (0.52) HTR1AHTR6SLC6A2SLC6A4SLC6A3
SCHEMBL14320532 0.79 HTR2C (0.58) CHRNB2CHRNA4HTR1AHTR6SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240132480-A1 INHIBITORS OF MYCOBACTERIUM TUBERCULOSIS LIPOAMIDE DEHYDROGENASE TRI-INSTITUTIONAL THERAPEUTICS DISCOVERY INSTITUTE, INC. 2024-04-25 US disclosed
WO-2022150574-A1 INHIBITORS OF MYCOBACTERIUM TUBERCULOSIS LIPOAMIDE DEHYDROGENASE CORNELL UNIVERSITY (US) 2022-07-14 WO disclosed
WO-2022150574-A1 INHIBITORS OF MYCOBACTERIUM TUBERCULOSIS LIPOAMIDE DEHYDROGENASE CORNELL UNIVERSITY (US) 2022-07-14 WO disclosed
US-8071768-B2 Alkylquinoline and alkylquinazoline kinase modulators JANSSEN PHARMACEUTICA, N.V. (BE) 2011-12-06 US disclosed
CN-101291922-A Alkylquinoline and alkylquinazoline kinase modulators JANSSEN PHARMACEUTICA NV (BE) 2008-10-22 CN disclosed
CN-101242845-A Synergistic modulation of FLT3 kinase using a farnesyl transferase inhibitor JANSSEN PHARMACEUTICA NV (BE) 2008-08-13 CN disclosed
EP-1893214-A1 SYNERGISTIC MODULATION OF FLT3 KINASE USING ALKYLQUINOLINES AND ALKYLQUINAZOLINES JANSSEN PHARMACEUTICA N.V. (BE) 2008-03-05 EP disclosed
EP-1893598-A1 ALKYLQUINOLINE AND ALKYLQUINAZOLINE KINASE MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2008-03-05 EP disclosed
US-20070004660-A1 Synergistic Modulation of Flt3 Kinase Using Alkylquinolines and Alkylquinazolines JANSSEN PHARMACEUTICA, N.V. (BE) 2007-01-04 US disclosed
WO-2006135629-A1 SYNERGISTIC MODULATION OF FLT3 KINASE USING ALKYLQUINOLINES AND ALKYLQUINAZOLINES JANSSEN PHARMACEUTICA N.V. (BE) 2006-12-21 WO disclosed
WO-2006135721-A1 ALKYLQUINOLINE AND ALKYLQUINAZOLINE KINASE MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2006-12-21 WO disclosed
US-20060281772-A1 ALKYLQUINOLINE AND ALKYLQUINAZOLINE KINASE MODULATORS JANSSEN PHARMACEUTICA, N.V. (BE) 2006-12-14 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 (3 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-20240132480-A1 INHIBITORS OF MYCOBACTERIUM TUBERCULOSIS LIPOAMIDE DEHYDROGENASE DLD, GCDH, DLAT CHRNB2 4622/4885CHRNA4 4657/4885HTR1A 4450/4885
US-20060281772-A1 ALKYLQUINOLINE AND ALKYLQUINAZOLINE KINASE MODULATORS FLT3, KIT, NTRK2 CHRNB2 700/4885CHRNA4 662/4885HTR1A 773/4885
US-20070004660-A1 Synergistic Modulation of Flt3 Kinase Using Alkylquinolines and Alkylquinazolines FLT3, MCL1, CDC42BPG CHRNB2 3282/4885CHRNA4 3647/4885HTR1A 4634/4885

“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.