SCHEMBL17471304

SCHEMBL17471304

CC(C)(C)OCC1CNCCO1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.53
▸ HTR2A P28223 4/20 0.48
▸ SLC6A4 P31645 4/20 0.48
▸ SLC6A2 P23975 2/20 0.48
▸ HTR2B P41595 2/20 0.48
▸ SLC6A3 Q01959 2/20 0.48
▸ ADRB2 P07550 1/20 0.48
▸ HTR1A P08908 1/20 0.48
▸ ADRA1A P35348 1/20 0.48
▸ ADRA2C P18825 1/20 0.48
▸ HRH1 P35367 1/20 0.39
▸ OPRD1 P41143 1/20 0.39
▸ OPRK1 P41145 1/20 0.39
▸ HTR3A P46098 1/20 0.39
▸ SSTR4 P31391 2/20 0.32
▸ IRAK4 Q9NWZ3 6/20 0.32
▸ EPHA2 P29317 3/20 0.32
▸ CHEK1 O14757 1/20 0.32
▸ FECH P22830 1/20 0.32
▸ KCNH2 Q12809 1/20 0.32

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
SCHEMBL22959115 1.00 ALDH1A1 (0.53) ALDH1A1HTR2ASLC6A4SLC6A2HTR2B
SCHEMBL10330205 0.82 SLC6A2 (0.39) ALDH1A1HTR2ASLC6A4SLC6A2HTR2B
SCHEMBL272144 0.79 — —
SCHEMBL271860 0.79 — —
SCHEMBL271861 0.79 — —
SCHEMBL1655750 0.77 HTR2A (0.44) HTR2ASLC6A4SLC6A2HTR2BSLC6A3
Hydrochloric Acid SCHEMBL3942366 0.77 ADRA2C (0.54) HTR2ASLC6A4SLC6A2HTR2BSLC6A3
Hydrochloric Acid SCHEMBL272352 0.77 ADRA2C (0.54) HTR2ASLC6A4SLC6A2HTR2BSLC6A3
Hydrochloric Acid SCHEMBL272353 0.77 ADRA2C (0.54) HTR2ASLC6A4SLC6A2HTR2BSLC6A3
SCHEMBL16305073 0.76 ALDH1A1 (0.67) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230159522-A1 BCL-2 INHIBITOR BEONE MEDICINES I GMBH (CH) 2023-05-25 — — US disclosed
US-20230159522-A1 BCL-2 INHIBITOR BEONE MEDICINES I GMBH (CH) 2023-05-25 — — US disclosed
US-10774064-B2 Potassium channel modulators CADENT THERAPEUTICS, INC. (US) 2020-09-15 — — US disclosed
US-20190218200-A1 POTASSIUM CHANNEL MODULATORS NOVARTIS AG (CH) 2019-07-18 — — US disclosed
US-9718825-B2 N-(4-(azaindazol-6-yl)-phenyl)-sulfonamides and their use as pharmaceuticals SANOFI (FR) 2017-08-01 — — US disclosed
US-9718825-B2 N-(4-(azaindazol-6-yl)-phenyl)-sulfonamides and their use as pharmaceuticals SANOFI (FR) 2017-08-01 — — US disclosed
US-20160024097-A1 N-(4-(AZAINDAZOL-6-YL)-PHENYL)-SULFONAMIDES AND THEIR USE AS PHARMACEUTICALS SANOFI (FR) 2016-01-28 — — 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 (4 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-20160024097-A1 N-(4-(AZAINDAZOL-6-YL)-PHENYL)-SULFONAMIDES AND THEIR USE AS PHARMACEUTICALS SGK1, SGK3, SGK2 ALDH1A1 3312/4885HTR2A 3155/4885SLC6A4 3879/4885
US-10774064-B2 Potassium channel modulators KCNJ11, KCNJ2, KCNJ1 ALDH1A1 1320/4885HTR2A 1767/4885SLC6A4 562/4885
US-20190218200-A1 POTASSIUM CHANNEL MODULATORS KCNJ11, KCNJ2, KCNJ1 ALDH1A1 1320/4885HTR2A 1767/4885SLC6A4 562/4885
US-20230159522-A1 BCL-2 INHIBITOR BCL2, BCL2A1, BCL2L1 ALDH1A1 2918/4885HTR2A 1574/4885SLC6A4 4772/4885

“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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