SCHEMBL634327

SCHEMBL634327

CC(C(=O)c1cccc(Cl)c1)N1CCCCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC6A2 P23975 10/20 1.00
▸ SLC6A3 Q01959 9/20 1.00
▸ CHRNB4 P30926 7/20 1.00
▸ CHRNA3 P32297 7/20 1.00
▸ CHRNB2 P17787 6/20 1.00
▸ CHRNA4 P43681 6/20 1.00
▸ CHRNA1 P02708 5/20 1.00
▸ CHRNG P07510 5/20 1.00
▸ CHRNB1 P11230 5/20 1.00
▸ CHRND Q07001 5/20 1.00
▸ SLC6A4 P31645 2/20 1.00
▸ ALDH1A1 P00352 3/20 0.62
▸ KDM4E B2RXH2 1/20 0.62
▸ GAA P10253 1/20 0.62
▸ ITGA5 P08648 1/20 0.50
▸ CYP2C19 P33261 1/20 0.50
▸ HRH1 P35367 1/20 0.50
▸ CHRNA7 P36544 1/20 0.50
▸ OPRK1 P41145 1/20 0.50
▸ KCNH2 Q12809 1/20 0.50

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
SCHEMBL9595857 0.82 SLC6A3 (0.72) SLC6A2SLC6A3CHRNB4CHRNA3CHRNB2
SCHEMBL5953978 0.81 SLC6A2 (0.68) SLC6A2SLC6A3CHRNB4CHRNA3CHRNB2
Hydrochloric Acid SCHEMBL9596951 0.81 SLC6A3 (0.70) SLC6A2SLC6A3CHRNB4CHRNA3CHRNB2
SCHEMBL1072701 0.81 SLC6A2 (0.69) SLC6A2SLC6A3CHRNB4CHRNA3CHRNB2
SCHEMBL5954545 0.80 SLC6A3 (0.66) SLC6A2SLC6A3CHRNB4CHRNA3CHRNB2
Bromide SCHEMBL13729160 0.80 SLC6A2 (0.68) SLC6A2SLC6A3CHRNB4CHRNA3CHRNB2
Hydrochloric Acid SCHEMBL10728832 0.80 SLC6A2 (0.68) SLC6A2SLC6A3CHRNB4CHRNA3CHRNB2
SCHEMBL28360223 0.79 SLC6A2 (0.67) SLC6A2SLC6A3CHRNB4CHRNA3CHRNB2
SCHEMBL11037118 0.79 SLC6A2 (0.67) SLC6A2SLC6A3CHRNB4CHRNA3CHRNB2
SCHEMBL10390984 0.78 SLC6A2 (0.65) SLC6A2SLC6A3CHRNB4CHRNA3CHRNB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10919841-B2 Monoamine reuptake inhibitors RESEARCH TRIANGLE INSTITUTE (US) 2021-02-16 — — US disclosed
US-20180215701-A1 MONOAMINE REUPTAKE INHIBITORS RES TRIANGLE INST (US) 2018-08-02 — — US disclosed
US-9562001-B2 Monoamine reuptake inhibitors RESEARCH TRIANGLE INSTITUTE (US) 2017-02-07 — — US disclosed
US-20120071560-A1 MONOAMINE REUPTAKE INHIBITORS RESEARCH TRIANGLE INSTITUTE 2012-03-22 — — US disclosed
EP-2419400-A1 MONOAMINE REUPTAKE INHIBITORS RESEARCH TRIANGLE INSTITUTE (US) 2012-02-22 — — EP disclosed
WO-2010121022-A1 MONOAMINE REUPTAKE INHIBITORS RESEARCH TRIANGLE INSTITUTE (US) 2010-10-21 — — 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 (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-20120071560-A1 MONOAMINE REUPTAKE INHIBITORS SLC6A2, SLC6A4, SLC6A3 SLC6A2 1/4885SLC6A3 3/4885CHRNB4 89/4885
US-10919841-B2 Monoamine reuptake inhibitors SLC6A2, SLC6A4, SLC6A3 SLC6A2 1/4885SLC6A3 3/4885CHRNB4 89/4885
US-20180215701-A1 MONOAMINE REUPTAKE INHIBITORS SLC6A2, SLC6A4, SLC6A3 SLC6A2 1/4885SLC6A3 3/4885CHRNB4 89/4885

“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.

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