SCHEMBL6277308

SCHEMBL6277308

[KH].c1ccc2c(c1)CCC2

nearest known ligand 0.80

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.80
▸ MAOB P27338 4/20 0.52
▸ MAOA P21397 3/20 0.52
▸ CYP2A6 P11509 2/20 0.52
▸ HTR2C P28335 1/20 0.50
▸ MAPT P10636 1/20 0.46
▸ PNMT P11086 1/20 0.43
▸ CD44 P16070 1/20 0.43
▸ DRD4 P21917 2/20 0.43
▸ DRD2 P14416 1/20 0.42
▸ DRD1 P21728 1/20 0.42
▸ DRD5 P21918 1/20 0.42
▸ DRD3 P35462 1/20 0.42
▸ HPGD P15428 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ BCL2L1 Q07817 1/20 0.40
▸ BAD Q92934 1/20 0.40
▸ PLAU P00749 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
SCHEMBL29354295 0.96 — —
SCHEMBL9662 0.96 — —
SCHEMBL451157 0.96 TSHR (0.86) TSHRMAOBMAOACYP2A6HTR2C
SCHEMBL3057782 0.96 TSHR (0.86) TSHRMAOBMAOACYP2A6HTR2C
Hydrochloric Acid SCHEMBL11437718 0.93 TSHR (0.80) TSHRMAOBMAOACYP2A6HTR2C
Ammonia Solution, Strong SCHEMBL6332955 0.93 TSHR (0.80) TSHRMAOBMAOACYP2A6HTR2C
Methane SCHEMBL19946467 0.93 TSHR (0.80) TSHRMAOBMAOACYP2A6HTR2C
Fluoride SCHEMBL9776698 0.93 TSHR (0.80) TSHRMAOBMAOACYP2A6HTR2C
SCHEMBL8676208 0.93 TSHR (0.80) TSHRMAOBMAOACYP2A6HTR2C
Water SCHEMBL7121211 0.93 TSHR (0.80) TSHRMAOBMAOACYP2A6HTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6858610-B2 Potassium channel inhibitors ICAGEN, INC. (US) 2005-02-22 — — US disclosed
US-6849634-B2 Potassium channel inhibitors ICAGEN (US) 2005-02-01 — — US disclosed
EP-1345905-A1 POTASSIUM CHANNEL INHIBITORS Icagen, Inc. (US) 2003-09-24 — — EP disclosed
US-20030013706-A1 Potassium channel inhibitors ICAGEN 2003-01-16 — — US disclosed
US-20020161011-A1 Potassium channel inhibitors ICAGEN 2002-10-31 — — US disclosed
US-6458794-B2 ANTIARRHYTHMIA AGENT, ANTIPROLIFERATIVE AGENT ICAGEN, INC. 2002-10-01 — — US disclosed
EP-1240147-A1 POTASSIUM CHANNEL INHIBITORS Icagen, Inc. (US) 2002-09-18 — — EP disclosed
WO-2002060874-A1 POTASSIUM CHANNEL INHIBITORS ICAGEN INCORPORATED (US) 2002-08-08 — — WO disclosed
US-20020006929-A1 Potassium channel inhibitors ICAGEN, INC. 2002-01-17 — — US disclosed
WO-2001046155-A1 POTASSIUM CHANNEL INHIBITORS ICAGEN, INC. (US) 2001-06-28 — — 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-20020161011-A1 Potassium channel inhibitors KCNN2, KCNN1, KCNN3 TSHR 3128/4885MAOB 3647/4885MAOA 4135/4885
US-20020006929-A1 Potassium channel inhibitors KCNN2, KCNN1, KCNN3 TSHR 3128/4885MAOB 3647/4885MAOA 4135/4885
US-20030013706-A1 Potassium channel inhibitors KCNN2, KCNN1, KCNN3 TSHR 3128/4885MAOB 3647/4885MAOA 4135/4885

“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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