SCHEMBL3465329

SCHEMBL3465329

CC[C@H](N)c1ccccn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 7/20 0.50
KCNH2 Q12809 1/20 0.50
TSHR P16473 1/20 0.48
KCNE1 P15382 2/20 0.47
CYP2D6 P10635 1/20 0.47
SLC6A2 P23975 2/20 0.45
SLC6A4 P31645 2/20 0.45
SLC6A3 Q01959 1/20 0.45
ALDH1A1 P00352 1/20 0.45
CYP1A2 P05177 1/20 0.45
GRIN2D O15399 1/20 0.43
GRIN3B O60391 1/20 0.43
GRIN1 Q05586 1/20 0.43
GRIN2A Q12879 1/20 0.43
GRIN2B Q13224 1/20 0.43
GRIN2C Q14957 1/20 0.43
GRIN3A Q8TCU5 1/20 0.43
CHRM2 P08172 1/20 0.42
SCN1A P35498 1/20 0.42
SCN2A Q99250 1/20 0.42

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
SCHEMBL30682711 1.00 KCNA5 (0.50) KCNA5KCNH2TSHRKCNE1CYP2D6
SCHEMBL311511 1.00 KCNA5 (0.50) KCNA5KCNH2TSHRKCNE1CYP2D6
SCHEMBL30360441 1.00 KCNA5 (0.50) KCNA5KCNH2TSHRKCNE1CYP2D6
SCHEMBL1579392 1.00 KCNA5 (0.50) KCNA5KCNH2TSHRKCNE1CYP2D6
Hydrochloric Acid SCHEMBL6776168 0.98 KCNA5 (0.49) KCNA5KCNH2TSHRKCNE1CYP2D6
Hydrochloric Acid SCHEMBL6081585 0.98 KCNA5 (0.49) KCNA5KCNH2TSHRKCNE1CYP2D6
Ammonia Solution, Strong SCHEMBL7426262 0.98 KCNA5 (0.49) KCNA5KCNH2TSHRKCNE1CYP2D6
Hydrochloric Acid SCHEMBL7929348 0.98 KCNA5 (0.49) KCNA5KCNH2TSHRKCNE1CYP2D6
Hydrochloric Acid SCHEMBL6771556 0.98 KCNA5 (0.49) KCNA5KCNH2TSHRKCNE1CYP2D6
Hypochlorous Acid SCHEMBL20677392 0.94 KCNA5 (0.46) KCNA5KCNH2TSHRKCNE1CYP2D6

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-12338262-B2 Modulators of TNF-alpha activity FORWARD THERAPEUTICS, INC. (US) 2025-06-24 US disclosed
US-20240279258-A1 MODULATORS OF TNF-ALPHA ACTIVITY FORWARD THERAPEUTICS, INC. 2024-08-22 US disclosed
US-11987597-B2 Modulators of TNF-α activity FORWARD THERAPEUTICS, INC. (US) 2024-05-21 US disclosed
US-20240076306-A1 MODULATORS OF TNF-ALPHA ACTIVITY FORWARD THERAPEUTICS, INC. 2024-03-07 US disclosed
WO-2023240253-A2 MODULATORS OF TNF-ALPHA ACTIVITY FORWARD THERAPEUTICS, INC. (US) 2023-12-14 WO disclosed
WO-2023240253-A2 MODULATORS OF TNF-ALPHA ACTIVITY FORWARD THERAPEUTICS, INC. (US) 2023-12-14 WO disclosed
US-20160368919-A1 NOVEL PYRIDINE PYRAZINONES AS BET-FAMILY BROMODOMAIN INHIBITORS PFIZER INC. (US) 2016-12-22 US disclosed
WO-2016203335-A1 NOVEL PYRIDO[2,3-B]PYRAZINONES AS BET-FAMILY BROMODOMAIN INHIBITORS PFIZER INC. (US) 2016-12-22 WO disclosed
EP-2346868-B1 AZAINDAZOLE COMPOUNDS AS CCR1 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2016-01-27 EP disclosed
US-8338610-B2 Pyridinyl compounds useful as intermediates BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-12-25 US disclosed
US-20120136158-A1 Pyridinyl Compounds Useful As Intermediates BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-05-31 US disclosed
US-20100093724-A1 Azaindazole Compounds As CCR1 Receptor Antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-15 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 (7 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-20100093724-A1 Azaindazole Compounds As CCR1 Receptor Antagonists CCR1, CCR3, CCR4 KCNA5 4196/4885KCNH2 3909/4885TSHR 1193/4885
US-20160368919-A1 NOVEL PYRIDINE PYRAZINONES AS BET-FAMILY BROMODOMAIN INHIBITORS BRD4, BRD3, BET1 KCNA5 2253/4885KCNH2 3017/4885TSHR 3319/4885
US-20240279258-A1 MODULATORS OF TNF-ALPHA ACTIVITY TNF, TNFRSF1A, NFKBIA KCNA5 4734/4885KCNH2 4751/4885TSHR 2761/4885
US-11987597-B2 Modulators of TNF-α activity TNF, TNFRSF1A, NFKBIA KCNA5 4720/4885KCNH2 4753/4885TSHR 2817/4885
US-20120136158-A1 Pyridinyl Compounds Useful As Intermediates CCR1, CCRL2, CCR4 KCNA5 4357/4885KCNH2 4067/4885TSHR 3668/4885
US-20240076306-A1 MODULATORS OF TNF-ALPHA ACTIVITY TNF, TNFRSF1A, NFKBIA KCNA5 4734/4885KCNH2 4751/4885TSHR 2761/4885
US-12338262-B2 Modulators of TNF-alpha activity TNF, TNFRSF1A, NFKBIA KCNA5 4734/4885KCNH2 4751/4885TSHR 2761/4885

“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.